Monday, December 31, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 2-fluoro-N-[(1S)-2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide
CAS Name: 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide
IUPAC NAME: 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C19H24FN5O3S
MOLECULAR WEIGHT: 421.488963
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NS(=O)(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(1S)-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CO3)C
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Product OPENEYE NAME: N-[(1S)-1-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C21H22N4O4S
MOLECULAR WEIGHT: 426.48878
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-4-chloro-benzamide
CAS Name: N-[(2S)-1-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
IUPAC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-benzamide
MOLECULAR FORMULA: C23H23ClN4O3S
MOLECULAR WEIGHT: 470.97172
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[(1S)-1-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C23H23FN4O3S
MOLECULAR WEIGHT: 454.517123
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(1S,2S)-1-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C24H26N4O3S
MOLECULAR WEIGHT: 450.55324
SMILES: CC[C@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide
CAS Name: N-[(2S)-1-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
IUPAC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide
MOLECULAR FORMULA: C25H28N4O5S
MOLECULAR WEIGHT: 496.57862
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC(=CC(=C3)OC)OC
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Product OPENEYE NAME: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CAS Name: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
IUPAC NAME: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SYSTEMATIC NAME: (2S)-2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)butanamide
MOLECULAR FORMULA: C19H18ClF3N4O2
MOLECULAR WEIGHT: 426.82003
SMILES: CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NC3=C(C=C(C=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C23H21N3O3S
MOLECULAR WEIGHT: 419.49614
SMILES: CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4)C
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Product OPENEYE NAME: (2S)-N-(1-methylbutyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-pentan-2-yl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-(4-methylphenyl)sulfonyl-N-pentan-2-ylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-(4-methylphenyl)sulfonyl-N-pentan-2-yl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H26N2O3S
MOLECULAR WEIGHT: 338.46494
SMILES: CCCC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[(1S,2S)-2-methyl-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]butyl]benzamide
CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-3-methyl-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]pentan-2-yl]benzamide
MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)butanamide
MOLECULAR FORMULA: C18H19BrN4O4S
MOLECULAR WEIGHT: 467.33686
SMILES: CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NS(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2,6-difluoro-N-[(1S)-2-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl]benzamide
CAS Name: 2,6-difluoro-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2,6-difluoro-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C20H19F2N3O2S
MOLECULAR WEIGHT: 403.445566
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C20H23N3O3S2
MOLECULAR WEIGHT: 417.54492
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C
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Product OPENEYE NAME: 4-methoxy-N-[(1S)-2-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl]benzamide
CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2S)-N-(1-methylhexyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-heptan-2-yl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-heptan-2-yl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-heptan-2-yl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C19H30N2O3S
MOLECULAR WEIGHT: 366.5181
SMILES: CCCCCC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[(1S,2S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]pentan-2-yl]benzamide
MOLECULAR FORMULA: C23H29N3O4S
MOLECULAR WEIGHT: 443.55906
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide
CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
IUPAC NAME: N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide
MOLECULAR FORMULA: C23H29N3O5S
MOLECULAR WEIGHT: 459.55846
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2,6-difluoro-N-[(1S)-1-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2,6-difluoro-N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2,6-difluoro-N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C23H23F2N3O3S
MOLECULAR WEIGHT: 459.508826
SMILES: CC1=C(N=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl (2R)-2-[[1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H27N3O5
MOLECULAR WEIGHT: 449.49898
SMILES: CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(tetrahydrofuran-2-ylmethoxy)benzoyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[4-(2-oxolanylmethoxy)phenyl]methyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(oxolan-2-ylmethoxy)phenyl]carbonylamino]propanoate
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)OCC4CCCO4
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4,4-diethyl-2,5-dioxo-imidazolidin-1-yl)acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4,4-diethyl-2,5-dioxo-1-imidazolidinyl)acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
MOLECULAR FORMULA: C20H27N5O3S
MOLECULAR WEIGHT: 417.52508
SMILES: CCC1(C(=O)N(C(=O)N1)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)CC
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Product OPENEYE NAME: N-[(1S,2S)-1-[2-[(5E)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethylcarbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[2-[(5E)-2,4-dioxo-5-(phenylmethylene)-3-thiazolidinyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[2-[(5E)-2,4-bis(oxidanylidene)-5-(phenylmethylidene)-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C25H27N3O4S
MOLECULAR WEIGHT: 465.56458
SMILES: CC[C@H](C)[C@@H](C(=O)NCCN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=O)NC(=O)C3=CC=CC=C3
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