Product OPENEYE NAME: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
CAS Name: 2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C18H22N2O2S3
MOLECULAR WEIGHT: 394.57448
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCSC
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Product OPENEYE NAME: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](C)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-nitrophenyl)propanamide
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(4-fluorophenyl)methyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]ethanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)F)C
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-nitrophenyl)propanamide
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H24N2O5
MOLECULAR WEIGHT: 336.38286
SMILES: CCCCNC(=O)NC(=O)COC(=O)CCC1=CC=C(C=C1)OC
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Product OPENEYE NAME: 1-allyl-3-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-prop-2-enylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C16H16FN3O2S2
MOLECULAR WEIGHT: 365.445543
SMILES: C=CCNC(=S)NCCN1C(=O)/C(=C/C2=CC=CC=C2F)/SC1=O
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Product OPENEYE NAME: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](C)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C20H25FN3O3S+
MOLECULAR WEIGHT: 406.494203
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-fluorophenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C20H24FN3O3S
MOLECULAR WEIGHT: 405.486263
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F)C
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Product OPENEYE NAME: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H22FN3OS
MOLECULAR WEIGHT: 395.492983
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NCCC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C)F)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)C)F)C
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Product OPENEYE NAME: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-methylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-methylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
MOLECULAR FORMULA: C14H14FN3O2S2
MOLECULAR WEIGHT: 339.408263
SMILES: CNC(=S)NCCN1C(=O)/C(=C/C2=CC=CC=C2F)/SC1=O
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Product OPENEYE NAME: [2-[[(1S)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C25H27NO5
MOLECULAR WEIGHT: 421.48558
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](C)C3=CC=C(C=C3)CC(C)C
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