Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[2-(4-methoxyphenyl)sulfanylethanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CCCNC(=O)[C@H](C)NC(=O)CSC1=CC=C(C=C1)OC
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Product OPENEYE NAME: N-[2-[(1R)-1-methylpropyl]phenyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[2-[(1R)-1-methylpropyl]phenyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate
CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C24H25NO6
MOLECULAR WEIGHT: 423.4584
SMILES: CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: [2-(3-acetamidoanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-acetamidoanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CAS Name: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C18H25N3O3
MOLECULAR WEIGHT: 331.4094
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC=C(C=C1)CN2CCCC2=O
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Product OPENEYE NAME: N-(2-phenylethyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-phenylethyl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C21H28N3O3S+
MOLECULAR WEIGHT: 402.53032
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3
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Product OPENEYE NAME: N-(2-phenylethyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-(2-phenylethyl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC3=CC=CC=C3
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-propyl-thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-propylthiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-propylthiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-propyl-thiourea
MOLECULAR FORMULA: C18H22N2S
MOLECULAR WEIGHT: 298.44568
SMILES: CCCNC(=S)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C18H25N3O3
MOLECULAR WEIGHT: 331.4094
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)CN2CCCC2=O
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Product OPENEYE NAME: N-(3-phenylpropyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC3=CC=CC=C3
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Product OPENEYE NAME: N-(3-phenylpropyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-(3-phenylpropyl)acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCCC3=CC=CC=C3
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
MOLECULAR FORMULA: C22H30N3OS+
MOLECULAR WEIGHT: 384.5581
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3
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Product OPENEYE NAME: 1-benzhydryl-1-methyl-3-(3-morpholinopropyl)thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C22H29N3OS
MOLECULAR WEIGHT: 383.55016
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCCCN3CCOCC3
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Product OPENEYE NAME: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16N2O6
MOLECULAR WEIGHT: 368.34014
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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