Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H31N4O3S2+
MOLECULAR WEIGHT: 427.60444
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3
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Product OPENEYE NAME: N-(3-morpholinopropyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(4-morpholinyl)propyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H30N4O3S2
MOLECULAR WEIGHT: 426.5965
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCN3CCOCC3
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenoxy)acetate
CAS Name: 2-(4-methoxyphenoxy)acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenoxy)ethanoate
MOLECULAR FORMULA: C20H23NO6
MOLECULAR WEIGHT: 373.39972
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C14H20N3O5S+
MOLECULAR WEIGHT: 342.3907
SMILES: COC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C14H19N3O5S
MOLECULAR WEIGHT: 341.38276
SMILES: COC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-nitro-benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-nitrobenzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-nitrobenzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-nitro-benzamide
MOLECULAR FORMULA: C16H15FN2O3S
MOLECULAR WEIGHT: 334.365303
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F
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Product OPENEYE NAME: N-cyclopropyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: N-cyclopropyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-cyclopropyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-cyclopropyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C15H21N3O2S2
MOLECULAR WEIGHT: 339.47614
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C
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Product OPENEYE NAME: methyl 6-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]hexanoate
CAS Name: 6-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl 6-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]hexanoate
SYSTEMATIC NAME: methyl 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]hexanoate
MOLECULAR FORMULA: C19H29N3O4S2
MOLECULAR WEIGHT: 427.58126
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCCCC(=O)OC
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