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AdrianM0
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SMILES-to-IUPAC-BOOTSTRAP-ROUND-44

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863
IUPAC
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C=C/C=C(\C=C)Cn1[nH]c2c(c1=O)CCN(S(=O)(=O)/C(C=C)=C/C(=C)F)C2
2-[(2E)-2-ethenylpenta-2,4-dienyl]-6-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
C=C(CC(=NCCC)C(C)CCCC1=NCCN1C)c1ccccc1
5-methyl-8-(1-methyl-4,5-dihydroimidazol-2-yl)-2-phenyl-N-propyloct-1-en-4-imine
COCCn1c(C)cc(C(=O)COC(=O)CCC(=O)c2cccs2)c1C
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
Cc1cc(NC(=O)CCCCl)ccc1NC(=O)c1ccccc1
N-[4-(4-chlorobutanoylamino)-2-methylphenyl]benzamide
CCCCCC(C(=O)OCC)C(CC)C(=O)OCC
diethyl 2-ethyl-3-pentylbutanedioate
Cc1ccc2c(c1)-c1nc(C3COCCN3)sc1C2
3-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)morpholine
[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(-c2ccccc2)c1
2-[9-(4-isocyano-2-phenylphenyl)carbazol-4-yl]-9-phenylcarbazole
CCOc1ccc(C(C)=O)cc1CSCC(N)C(=O)OC
methyl 3-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-2-aminopropanoate
CC(C)CN(C)Cc1ccc(C(=O)NN)cc1Br
3-bromo-4-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CCCn1cncc1CC1(C)CCC(=O)N1
5-methyl-5-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-one
CC1CCN(C(=O)C2C=CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C2)CC1C(=O)O
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopent-2-ene-1-carbonyl]-4-methylpiperidine-3-carboxylic acid
CCc1nc2n(n1)C(CCN)CCC2
2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
COC(=O)c1ccc(C(=O)c2cc(C#N)cc3ccc4cccn4c23)cc1
methyl 4-(7-cyanopyrrolo[1,2-a]quinoline-9-carbonyl)benzoate
CCCC(=O)NCCOCCNC(=O)C(C)C
N-[2-[2-(2-methylpropanoylamino)ethoxy]ethyl]butanamide
CC(C)(C)O.Cc1nc(N)c(-c2ccc(OCCc3ccc(F)cc3)c(F)c2)c(N2CCC(C)(C)CC2)c1CC(=O)OC(C)C
2-methylpropan-2-ol;propan-2-yl 2-[6-amino-4-(4,4-dimethylpiperidin-1-yl)-5-[3-fluoro-4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]acetate
O=C(O)CCCNCc1cn[nH]c1-c1cccs1
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanoic acid
COC1CCCCC1N(C)CC(C)(C)CN
N'-(2-methoxycyclohexyl)-N',2,2-trimethylpropane-1,3-diamine
CCCN(CC)S(=O)(=O)c1ccc(OC)cc1CCNC
N-ethyl-4-methoxy-2-[2-(methylamino)ethyl]-N-propylbenzenesulfonamide
Cc1c(C)n(C2CCCC2)c(=S)n1CN1CCN(c2ncccn2)CC1
1-cyclopentyl-4,5-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazole-2-thione
CCCC(C#N)(CCC)C(=O)N(C)CCOC(C)C
2-cyano-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpentanamide
CCC(C)(C)C(N)Cc1cccc(C)c1
3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CCC1CCCCN1c1cc(C)nc(N2CCN(c3ccccn3)CC2)n1
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CC1(C)C2C[C@@H]3O[C@]3(C)[C@]13C[C@@H](Br)[C@@](C)(Cl)CC3O2
(1R,3R,4S,10S,12R)-3-bromo-4-chloro-4,12,13,13-tetramethyl-7,11-dioxatetracyclo[6.4.1.01,6.010,12]tridecane
Cc1cccc([N+](=O)[O-])c1OC1CC(Cl)C12CCCC2
3-chloro-1-(2-methyl-6-nitrophenoxy)spiro[3.4]octane
CCOC(=O)N1CCN(S(=O)(=O)c2nc(C)oc2-c2ccccc2)CC1
ethyl 4-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]piperazine-1-carboxylate
O=C1C=c2cc3ccc4ccnnc4c3cc2=CC1
10H-naphtho[3,2-h]cinnolin-9-one
CCN1CCc2c(c3ccccc3n2CCc2cncc(F)c2)C1
2-ethyl-5-[2-(5-fluoropyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)cc1C
N-[4-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]-2,4,5-trimethylbenzenesulfonamide
CCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]propane-1-sulfonamide
CCCC1(C(=O)N2CC3CCCC3C2C(=O)O)CCCN1
2-(2-propylpyrrolidine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
Cc1ccc(Cn2nc(C)c(NC(=O)c3noc(C)c3COc3cc(C)ccc3C)c2C)cc1
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CC1(CCCCCC(=O)O)C2C(S(=O)(=O)O)=[C+]C=CC2N(CCCCS(=O)(=O)O)C1C=CCC=Nc1ccccc1
6-[3-methyl-2-(4-phenyliminobut-1-enyl)-4-sulfo-1-(4-sulfobutyl)-2,3a,5,7a-tetrahydroindol-5-ylium-3-yl]hexanoic acid
c1ccc(-c2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)cc1
5-phenyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
Cc1cccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)n2C)c1
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CC(O)(Cc1ccc(F)cc1)Cc1cccc(Cl)c1F
1-(3-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
Cc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)c(C)cc2O3)nn1
6,7-dimethyl-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CC/C(C)=c1/ccccc1=C(C)C
(5Z)-5-butan-2-ylidene-6-propan-2-ylidenecyclohexa-1,3-diene
Cc1ccc(OCC(=O)OC(C)C(=O)Nc2cc(C)on2)cc1
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CCC(C=CC=C[C@@H](C)C1CCC2C(=CC=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C(OCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)(CC)O[Si](C)(C)C(C)(C)C
[(8R)-8-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-ethylnona-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
Nc1nc(-c2cccc3ncccc23)c2[nH]cnc2n1
6-quinolin-5-yl-7H-purin-2-amine
O=C(COCC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br
1-(2-bromo-4-nitrophenyl)-2-[2-(2-bromo-4-nitrophenyl)-2-oxoethoxy]ethanone
CNC.CNC=O
N-methylformamide;N-methylmethanamine
Cc1ccc(OCC(=O)N(C2CCCCCC2)C2CCCCC2)c(OCC(=O)N(C2CCCCC2)C2CCCCC2)c1
N-cycloheptyl-N-cyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]-4-methylphenoxy]acetamide
C=CCNC(=O)CC(=O)N/N=C/c1ccccc1
N'-[(E)-benzylideneamino]-N-prop-2-enylpropanediamide
COCCCNC(=O)C(C#N)C(=O)c1ccc(C)c(F)c1
2-cyano-3-(3-fluoro-4-methylphenyl)-N-(3-methoxypropyl)-3-oxopropanamide
O=C(Nc1ccccc1Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
2,3,4,5,6-pentafluoro-N-(2-phenoxyphenyl)benzamide
CCn1cc2c(c1)C1OCCCC1C(c1ccccc1)N2
4-ethyl-8-phenyl-13-oxa-4,7-diazatricyclo[7.4.0.02,6]trideca-2,5-diene
O=C(NCCN1Cc2cc(F)ccc2OCC1=O)[C@@H]1CC=CCC1
(1S)-N-[2-(7-fluoro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]cyclohex-3-ene-1-carboxamide
Cc1ccc(F)cc1Cn1ncc2ccc(I)cc21
1-[(5-fluoro-2-methylphenyl)methyl]-6-iodoindazole
CCOc1cc2c(cc1/C=C/C(=O)Nc1cc(C(=O)OC)ccc1C)OC(C)C2
methyl 3-[[(E)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enoyl]amino]-4-methylbenzoate
CSC(OC(C)[Si](C)(C)C)n1cc(Cl)cn1
1-[(4-chloropyrazol-1-yl)-methylsulfanylmethoxy]ethyl-trimethylsilane
CCOc1ccc(C(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C)CC2)cc1
(4-ethoxyphenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1
2-[1-(3-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
Cc1nc(Cl)nc(NC2CCN(C3CC3)C2)c1[N+](=O)[O-]
2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-5-nitropyrimidin-4-amine
CCC(C)C(NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)O
(4S)-5-[[1-[[(Z,2S)-1-carboxy-4-chloro-4-methylsulfonylbut-3-en-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
N#CC(Br)Cc1ccccc1[N+](=O)[O-]
2-bromo-3-(2-nitrophenyl)propanenitrile
CC(CCl)C(=O)NCCCOCC1CC1
3-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CC1CN(CC(C)(C)CN)CC(C)(C)O1
2,2-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-amine
COC(=O)Cn1c(=NC(=O)CCc2ccccc2)sc2cc(Br)ccc21
methyl 2-[6-bromo-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl
2-chloro-5-nitro-N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1cc2ccccc2o1
3-[[2-[[(1R)-1-(1-benzofuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N-methylbenzamide
O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Br)cc1
(2S)-4-(4-bromoanilino)-4-oxo-2-piperazin-1-ylbutanoic acid
CC1(C)NC(=O)C(C)(C2CC2)N(Cc2ccccn2)C1=O
6-cyclopropyl-3,3,6-trimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CCC(NC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)c1cccs1
2-cyclohexyl-1-oxo-N-(1-thiophen-2-ylpropyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CCC#Cc1ccc(C(C=N)C=NCCCCCC(C)=Nc2ncc(C(=O)O)s2)cc1
2-[7-[[2-(4-but-1-ynylphenyl)-3-iminopropylidene]amino]heptan-2-ylideneamino]-1,3-thiazole-5-carboxylic acid
CCN(CCCC(=O)NN)C(C)C
4-[ethyl(propan-2-yl)amino]butanehydrazide
Nc1cccc(Cl)c1NCc1ccc(C(F)(F)F)cc1
3-chloro-2-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CC(N)c1ccc(OCC2CC2)c(F)c1
1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethanamine
O=C(O)C(=O)/C=C\c1cccc(C(=O)O)c1O
3-[(Z)-3-carboxy-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
[2H]c1c([2H])c([2H])c(-n2c(-c3ccccc3-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4c([2H])c([2H])c([2H])c([2H])c34)nc3ccccc32)c([2H])c1[2H]
2-[2-(1,2,3,4,5,6,7,8-octadeuterio-10-fluoranthen-3-ylanthracen-9-yl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CC(=N/C=C(\C)C(=O)O)c1cncc(Br)c1.CCc1cc(Cl)ccc1Cl
(E)-3-[1-(5-bromopyridin-3-yl)ethylideneamino]-2-methylprop-2-enoic acid;1,4-dichloro-2-ethylbenzene
NC(N)=NC(N)=NCC1CCCCC1O
1-(diaminomethylidene)-2-[(2-hydroxycyclohexyl)methyl]guanidine
COc1ccc(N2C(=O)C(=Cc3cc(F)c(O)c(F)c3)OC2=S)cn1
5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-3-(6-methoxypyridin-3-yl)-2-sulfanylidene-1,3-oxazolidin-4-one
C=Cn1c(/C(=C/C(=O)c2ccccc2)NCCCC(C)=O)ccc1-c1ccc(Cl)cc1
5-[[(Z)-1-[5-(4-chlorophenyl)-1-ethenylpyrrol-2-yl]-3-oxo-3-phenylprop-1-enyl]amino]pentan-2-one
CCCCN(C)CCNC(=O)c1c(O)nc2scc(C)n2c1=O
N-[2-[butyl(methyl)amino]ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CN(CC1CCC1)CC1(C(=O)O)COC1
3-[[cyclobutylmethyl(methyl)amino]methyl]oxetane-3-carboxylic acid
CCCO/N=C1/CS(=O)(=O)CC1N
(4E)-1,1-dioxo-4-propoxyiminothiolan-3-amine
CO[C@@H]1[C@H]2CC[C@H]1OCCN2C(=O)c1cnc2ccccc2c1
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-3-ylmethanone
c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(Cc6ccccc6)ccc4n5-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-n6c7ccccc7c7ccccc76)ccc54)cc3)cc12
3-benzyl-6-(6-benzyl-9-carbazol-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(4-dibenzofuran-2-ylphenyl)carbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CCCCCC
bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate
O=C(Nc1ccncn1)N(CCO)C1CC1
1-cyclopropyl-1-(2-hydroxyethyl)-3-pyrimidin-4-ylurea
CC(NC(=O)c1cc2c([nH]c1=O)CCCCC2)C(=O)O
2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]propanoic acid
CC(CO)N(C)c1ccc(CNC2CC2)c(C(F)(F)F)c1
2-[4-[(cyclopropylamino)methyl]-N-methyl-3-(trifluoromethyl)anilino]propan-1-ol
Nc1cc(F)ccc1C(=O)Nc1c(F)cccc1Cl
2-amino-N-(2-chloro-6-fluorophenyl)-4-fluorobenzamide
O=NC(CCCBr)C(O)CBr
1,6-dibromo-3-nitrosohexan-2-ol
CC(C)CNC(=O)CCc1nc(-c2cccs2)no1
N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CCCCn1nnnc1CSc1nc(-c2cccs2)nc2ccccc12
4-[(1-butyltetrazol-5-yl)methylsulfanyl]-2-thiophen-2-ylquinazoline
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](N)C(N)=S
(2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanethioamide
C=CCCOC(=O)[C@H]1[C@H]2C(=O)N([C@@H](CO)CC(C)C)C(C(=O)N(CC=C)c3ccc(Cl)cc3)C23CC[C@]1(C)S3
but-3-enyl (5S,6R,7S)-2-[(4-chlorophenyl)-prop-2-enylcarbamoyl]-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-7-methyl-4-oxo-10-thia-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
Cl[SiH2]Cl.c1ccc([SiH2]c2ccccc2)cc1
dichlorosilane;diphenylsilane
COc1ccc(C(N)c2cc(C)ccc2F)cc1F
(3-fluoro-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CC1CN(Cc2cc(C(N)=O)ccc2F)CCC1O
4-fluoro-3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1O
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindol-1-ol
O=C(Nc1cccc(F)c1)c1ccnc(N2CCN(c3ncccn3)CC2)n1
N-(3-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CCCCC1c2ccccc2C(O)(CC(=O)c2ccccn2)S1=O
2-(3-butyl-1-hydroxy-2-oxo-3H-2-benzothiophen-1-yl)-1-pyridin-2-ylethanone
CC1(C)C2CCC1(C)C(NCCc1ccccn1)C2
1,7,7-trimethyl-N-(2-pyridin-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(F)cc1
2-(4-bromonaphthalen-1-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
Cc1ccc(N2CCN(Cc3cccc(CCC(=O)O)n3)CC2)cc1
3-[6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]pyridin-2-yl]propanoic acid
CN1CCN(C(=O)c2cccc(C(=O)O)n2)CC1(C)C
6-(3,3,4-trimethylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCCCC2CC(C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-[2-(2-methylpropyl)piperidine-1-carbonyl]pyridin-2-one