Product OPENEYE NAME: [2-(4-acetamidophenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-acetamidophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]prop-2-enamide
CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-N-(3,4-dimethylphenyl)-2-propenamide
IUPAC NAME: (E)-2-cyano-3-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
MOLECULAR FORMULA: C23H27N3O2
MOLECULAR WEIGHT: 377.47938
SMILES: CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C[C@H]3CCCO3)C)/C#N)C
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-cyclohexyl-piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-cyclohexyl-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-cyclohexylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-cyclohexyl-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H25N3O2S2
MOLECULAR WEIGHT: 367.5293
SMILES: C1CCC(CC1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3,4-dimethoxybenzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzamide
MOLECULAR FORMULA: C18H20FNO3S
MOLECULAR WEIGHT: 349.419703
SMILES: COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)OC
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Product OPENEYE NAME: (E)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CAS Name: (E)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2-propenamide
IUPAC NAME: (E)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C17H16FNO
MOLECULAR WEIGHT: 269.313443
SMILES: CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2F)C
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Product OPENEYE NAME: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate
CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester
IUPAC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate
SYSTEMATIC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate
MOLECULAR FORMULA: C21H17FN2O3S
MOLECULAR WEIGHT: 396.434683
SMILES: CC1=C(ON=C1COC(=O)CCC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H27N4O3S2+
MOLECULAR WEIGHT: 399.55128
SMILES: C1COCC[NH+]1CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(2-morpholinoethyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[2-(4-morpholinyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(2-morpholin-4-ylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H26N4O3S2
MOLECULAR WEIGHT: 398.54334
SMILES: C1CN(CCN1C(=S)NCCN2CCOCC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-(propylamino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(propylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(propylamino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylamino)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C19H28N2O2S
MOLECULAR WEIGHT: 348.50282
SMILES: CC1=C(C=C(C=C1)NC(=O)CSCC(=O)N(C)C2CCCCC2)C
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-isopropyl-piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-propan-2-yl-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-propan-2-ylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(phenylsulfonyl)-N-propan-2-yl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C14H21N3O2S2
MOLECULAR WEIGHT: 327.46544
SMILES: CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-4-methylsulfanyl-benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-methoxy-4-(methylthio)benzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-4-methylsulfanylbenzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-4-methylsulfanyl-benzamide
MOLECULAR FORMULA: C18H20FNO2S2
MOLECULAR WEIGHT: 365.485303
SMILES: COC1=C(C=CC(=C1)SC)C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C21H28N3O4S+
MOLECULAR WEIGHT: 418.52972
SMILES: COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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