Sunday, May 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)OC3=CC=C(C=C3)C(=O)NC)C)C
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Product OPENEYE NAME: (3R)-N-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(phenylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-N-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-(phenylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: COC1=C(C=C(C=C1)CCN2C[C@@H](CC2=O)C(=O)NCC3=CC=CC=C3)OC
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]thiophene-3-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-thiophenecarboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C18H12N2OS2
MOLECULAR WEIGHT: 336.43068
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CSC=C4
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)C(=O)NC
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxothiazolidin-3-yl)acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxo-3-thiazolidinyl)acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxidanylidene-1,3-thiazolidin-3-yl)ethanamide
MOLECULAR FORMULA: C18H15N3O2S2
MOLECULAR WEIGHT: 369.4606
SMILES: C1CSC(=O)N1CC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylate
CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxylic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C22H20N2O5S2
MOLECULAR WEIGHT: 456.5346
SMILES: CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
MOLECULAR FORMULA: C25H21N5OS2
MOLECULAR WEIGHT: 471.59714
SMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]-3,4-dimethoxy-benzamide
CAS Name: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-3,4-dimethoxybenzamide
IUPAC NAME: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-3,4-dimethoxybenzamide
SYSTEMATIC NAME: N-[2-[[3-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzamide
MOLECULAR FORMULA: C24H21N3O4S
MOLECULAR WEIGHT: 447.50624
SMILES: COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)OC
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Product OPENEYE NAME: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]-2-fluoro-benzamide
CAS Name: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-2-fluorobenzamide
IUPAC NAME: N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[2-[[3-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C22H16FN3O2S
MOLECULAR WEIGHT: 405.444743
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)F
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide
MOLECULAR FORMULA: C24H19N3O3S
MOLECULAR WEIGHT: 429.49096
SMILES: C1COC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-pyrazole-4-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-4-pyrazolecarboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H14N4OS
MOLECULAR WEIGHT: 334.39496
SMILES: CN1C=C(C=N1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide
MOLECULAR FORMULA: C24H19N5OS2
MOLECULAR WEIGHT: 457.57056
SMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide
MOLECULAR FORMULA: C20H19N5OS2
MOLECULAR WEIGHT: 409.52776
SMILES: CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C23H16N4O2S2
MOLECULAR WEIGHT: 444.52874
SMILES: CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)NC1=S
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Product OPENEYE NAME: (E)-N-benzyl-3-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-phenyl]prop-2-enamide
CAS Name: (E)-3-[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxyphenyl]-N-(phenylmethyl)-2-propenamide
IUPAC NAME: (E)-N-benzyl-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-phenyl]-N-(phenylmethyl)prop-2-enamide
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3)OC
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(8-methyl-4-oxo-quinazolin-3-yl)acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(8-methyl-4-oxo-3-quinazolinyl)acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide
MOLECULAR FORMULA: C24H18N4O2S
MOLECULAR WEIGHT: 426.49032
SMILES: CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxamide
MOLECULAR FORMULA: C23H17N3O2S
MOLECULAR WEIGHT: 399.46498
SMILES: C1CC(=O)NC2=C1C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(methylsulfamoyl)benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(methylsulfamoyl)benzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(methylsulfamoyl)benzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(methylsulfamoyl)benzamide
MOLECULAR FORMULA: C21H17N3O3S2
MOLECULAR WEIGHT: 423.50798
SMILES: CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(1-oxo-2-phenoxyethyl)amino]acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-phenoxyethanoylamino)ethanamide
MOLECULAR FORMULA: C23H19N3O3S
MOLECULAR WEIGHT: 417.48026
SMILES: C1=CC=C(C=C1)OCC(=O)NCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-(2-fluorophenyl)-N-[4-[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]thiazol-2-yl]acetamide
CAS Name: N-(2-fluorophenyl)-N-[4-[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]-2-thiazolyl]acetamide
IUPAC NAME: N-(2-fluorophenyl)-N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-N-[4-[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C18H18FN3O2S
MOLECULAR WEIGHT: 359.417823
SMILES: CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)/C=C/C(=O)N3CCCC3
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