Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(diisopropylamino)ethyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide
CAS Name: 2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
IUPAC NAME: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SYSTEMATIC NAME: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-[di(propan-2-yl)amino]ethyl]ethanamide
MOLECULAR FORMULA: C21H32N4OS
MOLECULAR WEIGHT: 388.56998
SMILES: CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NCCN(C(C)C)C(C)C)C
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Product OPENEYE NAME: 2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]ethyl-diisopropyl-ammonium
CAS Name: 2-[[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]ethyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]ethyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C21H33N4OS+
MOLECULAR WEIGHT: 389.57792
SMILES: CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCC[NH+](C(C)C)C(C)C)C
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Product OPENEYE NAME: N-[2-(diisopropylamino)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide
CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
IUPAC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SYSTEMATIC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-[di(propan-2-yl)amino]ethyl]ethanamide
MOLECULAR FORMULA: C21H32N4OS
MOLECULAR WEIGHT: 388.56998
SMILES: CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCCN(C(C)C)C(C)C)C
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Product OPENEYE NAME: N-[(1R)-1-methylbutyl]-2-oxo-1H-quinoline-3-carboxamide
CAS Name: 2-oxo-N-[(2R)-pentan-2-yl]-1H-quinoline-3-carboxamide
IUPAC NAME: 2-oxo-N-[(2R)-pentan-2-yl]-1H-quinoline-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-N-[(2R)-pentan-2-yl]-1H-quinoline-3-carboxamide
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCC[C@@H](C)NC(=O)C1=CC2=CC=CC=C2NC1=O
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Product OPENEYE NAME: N-[(1S)-1-methylbutyl]-2-oxo-1H-quinoline-3-carboxamide
CAS Name: 2-oxo-N-[(2S)-pentan-2-yl]-1H-quinoline-3-carboxamide
IUPAC NAME: 2-oxo-N-[(2S)-pentan-2-yl]-1H-quinoline-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-N-[(2S)-pentan-2-yl]-1H-quinoline-3-carboxamide
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCC[C@H](C)NC(=O)C1=CC2=CC=CC=C2NC1=O
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Product OPENEYE NAME: (2R)-N-[(1R)-1-methylbutyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
IUPAC NAME: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
SYSTEMATIC NAME: (2R)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC[C@@H](C)NC(=O)[C@@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (2R)-N-[(1S)-1-methylbutyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
IUPAC NAME: (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
SYSTEMATIC NAME: (2R)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC[C@H](C)NC(=O)[C@@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (2S)-N-[(1R)-1-methylbutyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
IUPAC NAME: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
SYSTEMATIC NAME: (2S)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2R)-pentan-2-yl]propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC[C@@H](C)NC(=O)[C@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (2S)-N-[(1S)-1-methylbutyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
IUPAC NAME: (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
SYSTEMATIC NAME: (2S)-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-pentan-2-yl]propanamide
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCC[C@H](C)NC(=O)[C@H](C)N1C2=CC=CC=C2OC1=O
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Product OPENEYE NAME: 4-(2-cyanoethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CAS Name: 4-(2-cyanoethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
IUPAC NAME: 4-(2-cyanoethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
SYSTEMATIC NAME: 4-(2-cyanoethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
MOLECULAR FORMULA: C18H19N3O4S
MOLECULAR WEIGHT: 373.42616
SMILES: CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N
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Product OPENEYE NAME: (3R)-N-[4-[(1R)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H28N2O3S2
MOLECULAR WEIGHT: 420.58862
SMILES: CC[C@@H](C)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: (3R)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H28N2O3S2
MOLECULAR WEIGHT: 420.58862
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: (3S)-N-[4-[(1R)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H28N2O3S2
MOLECULAR WEIGHT: 420.58862
SMILES: CC[C@@H](C)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: (3S)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C21H28N2O3S2
MOLECULAR WEIGHT: 420.58862
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C
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Product OPENEYE NAME: N-[(1R)-2-methoxy-1-methyl-ethyl]-2-methyl-1H-indole-3-carboxamide
CAS Name: N-[(2R)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
IUPAC NAME: N-[(2R)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)N[C@H](C)COC
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Product OPENEYE NAME: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-methyl-1H-indole-3-carboxamide
CAS Name: N-[(2S)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
IUPAC NAME: N-[(2S)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-methoxypropan-2-yl]-2-methyl-1H-indole-3-carboxamide
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)N[C@@H](C)COC
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Product OPENEYE NAME: N-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CAS Name: N-[(2R)-1-methoxypropan-2-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
IUPAC NAME: N-[(2R)-1-methoxypropan-2-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-[(2R)-1-methoxypropan-2-yl]-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
MOLECULAR FORMULA: C18H20N4O5S
MOLECULAR WEIGHT: 404.4402
SMILES: C[C@H](COC)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3
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Product OPENEYE NAME: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CAS Name: N-[(2S)-1-methoxypropan-2-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
IUPAC NAME: N-[(2S)-1-methoxypropan-2-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-[(2S)-1-methoxypropan-2-yl]-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
MOLECULAR FORMULA: C18H20N4O5S
MOLECULAR WEIGHT: 404.4402
SMILES: C[C@@H](COC)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3
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Product OPENEYE NAME: 2-methyl-1-morpholino-2-phenyl-propan-1-one
CAS Name: 2-methyl-1-(4-morpholinyl)-2-phenyl-1-propanone
IUPAC NAME: 2-methyl-1-morpholin-4-yl-2-phenylpropan-1-one
SYSTEMATIC NAME: 2-methyl-1-morpholin-4-yl-2-phenyl-propan-1-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CC(C)(C1=CC=CC=C1)C(=O)N2CCOCC2
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Product OPENEYE NAME: N,N-diethyl-4-[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]benzamide
CAS Name: N,N-diethyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC NAME: N,N-diethyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SYSTEMATIC NAME: N,N-diethyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H21N3O2
MOLECULAR WEIGHT: 335.39964
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C
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Product OPENEYE NAME: 1-(4-acetylpiperazin-1-yl)-2-methyl-2-phenyl-propan-1-one
CAS Name: 1-(4-acetyl-1-piperazinyl)-2-methyl-2-phenyl-1-propanone
IUPAC NAME: 1-(4-acetylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-one
SYSTEMATIC NAME: 1-(4-ethanoylpiperazin-1-yl)-2-methyl-2-phenyl-propan-1-one
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CC(=O)N1CCN(CC1)C(=O)C(C)(C)C2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-tert-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CAS Name: (E)-N-tert-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-propenamide
IUPAC NAME: (E)-N-tert-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-tert-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H21ClN2O3S
MOLECULAR WEIGHT: 392.89964
SMILES: CC(C)(C)NC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: (E)-N-tert-butyl-3-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]prop-2-enamide
CAS Name: (E)-N-tert-butyl-3-[5-[(1S,2R)-2-methylcyclopropyl]-2-furanyl]-2-propenamide
IUPAC NAME: (E)-N-tert-butyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-tert-butyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C/C(=O)NC(C)(C)C
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