Friday, May 17, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCCSC4=CC=CC=C43
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Product OPENEYE NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CAS Name: 5-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
IUPAC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
MOLECULAR FORMULA: C24H30N2O4S2
MOLECULAR WEIGHT: 474.636
SMILES: C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)OC
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Product OPENEYE NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CAS Name: 5-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxy-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
IUPAC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
MOLECULAR FORMULA: C24H30N2O4S2
MOLECULAR WEIGHT: 474.636
SMILES: C[C@H]1CCCC[C@@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)OC
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Product OPENEYE NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CAS Name: 5-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
IUPAC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
MOLECULAR FORMULA: C24H30N2O4S2
MOLECULAR WEIGHT: 474.636
SMILES: C[C@@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)OC
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Product OPENEYE NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CAS Name: 5-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
IUPAC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
MOLECULAR FORMULA: C24H30N2O4S2
MOLECULAR WEIGHT: 474.636
SMILES: C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43)OC
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Product OPENEYE NAME: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-[(3R)-1,1-dioxothiolan-3-yl]-4,5-dihydropyridazin-3-one
CAS Name: 6-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-[(3R)-1,1-dioxo-3-thiolanyl]-4,5-dihydropyridazin-3-one
IUPAC NAME: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-[(3R)-1,1-dioxothiolan-3-yl]-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 2-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C18H21N3O4S2
MOLECULAR WEIGHT: 407.50704
SMILES: C1CN(C2=CC=CC=C2SC1)C(=O)C3=NN(C(=O)CC3)[C@@H]4CCS(=O)(=O)C4
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Product OPENEYE NAME: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-[(3S)-1,1-dioxothiolan-3-yl]-4,5-dihydropyridazin-3-one
CAS Name: 6-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-[(3S)-1,1-dioxo-3-thiolanyl]-4,5-dihydropyridazin-3-one
IUPAC NAME: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-[(3S)-1,1-dioxothiolan-3-yl]-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C18H21N3O4S2
MOLECULAR WEIGHT: 407.50704
SMILES: C1CN(C2=CC=CC=C2SC1)C(=O)C3=NN(C(=O)CC3)[C@H]4CCS(=O)(=O)C4
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Product OPENEYE NAME: [4-(cyclopropylamino)-3-nitro-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
IUPAC NAME: [4-(cyclopropylamino)-3-nitrophenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
SYSTEMATIC NAME: [4-(cyclopropylamino)-3-nitro-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]-1H-quinazolin-4-one
CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: C1CN(C2=CC=CC=C2SC1)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3
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Product OPENEYE NAME: 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H22N2O2S2
MOLECULAR WEIGHT: 386.53088
SMILES: CC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCCSC3=CC=CC=C32
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