Sunday, March 31, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H21N3O4S2
MOLECULAR WEIGHT: 419.51774
SMILES: C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-acetamide
CAS Name: N-(4-chlorophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C18H19ClN2O2S
MOLECULAR WEIGHT: 362.87366
SMILES: CC1=C(C=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H17NO4
MOLECULAR WEIGHT: 347.36398
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (2R)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2R)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2R)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2R)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C19H25N7O2S
MOLECULAR WEIGHT: 415.5125
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)SC2=NN=C(N2CCOC)C3=CC=NC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H25FN3O3S+
MOLECULAR WEIGHT: 406.494203
SMILES: C1CN(CC[NH+]1CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24FN3O3S
MOLECULAR WEIGHT: 405.486263
SMILES: C1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C19H25N7O2S
MOLECULAR WEIGHT: 415.5125
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NN=C(N2CCOC)C3=CC=NC=C3
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H23N3O3S2
MOLECULAR WEIGHT: 405.53422
SMILES: COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)C)C)C
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Product OPENEYE NAME: (E)-3-(2,4-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2,4-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2,4-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C20H22FNO3S
MOLECULAR WEIGHT: 375.456983
SMILES: COC1=CC(=C(C=C1)/C=C/C(=O)NCCSCC2=CC=CC=C2F)OC
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