Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino] 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid [[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino] ester
IUPAC NAME: [[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino] 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino] 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C18H13F3N2O4S
MOLECULAR WEIGHT: 410.36703
SMILES: C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NOC(=O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 1-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-ethanone
CAS Name: 1-(2,4-dichlorophenyl)-2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]ethanone
IUPAC NAME: 1-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-ethanone
MOLECULAR FORMULA: C20H14Cl2N2OS3
MOLECULAR WEIGHT: 465.43896
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)C4=C(C=C(C=C4)Cl)Cl)C
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Product OPENEYE NAME: 1,3-dimethyl-5-morpholinosulfonyl-indolin-2-one
CAS Name: 1,3-dimethyl-5-(4-morpholinylsulfonyl)-3H-indol-2-one
IUPAC NAME: 1,3-dimethyl-5-morpholin-4-ylsulfonyl-3H-indol-2-one
SYSTEMATIC NAME: 1,3-dimethyl-5-morpholin-4-ylsulfonyl-3H-indol-2-one
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: CC1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C1=O)C
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Product OPENEYE NAME: 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
CAS Name: 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-2-phenyl-2,3-dihydrothiopyran-4-one
IUPAC NAME: 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
SYSTEMATIC NAME: 6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
MOLECULAR FORMULA: C19H15ClO2S2
MOLECULAR WEIGHT: 374.9042
SMILES: C1C(SC(=CC1=O)SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: [[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino] 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid [[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 2-chlorobenzoate
SYSTEMATIC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 2-chloranylbenzoate
MOLECULAR FORMULA: C21H19ClN2O2S
MOLECULAR WEIGHT: 398.90576
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NOC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: [[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] N-phenylcarbamate
SYSTEMATIC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] N-phenylcarbamate
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NOC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: [[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 4-chlorobenzoate
SYSTEMATIC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 4-chloranylbenzoate
MOLECULAR FORMULA: C21H19ClN2O2S
MOLECULAR WEIGHT: 398.90576
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NOC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(methyl-oxidanylidene-phenyl-$l^{6}-sulfanylidene)-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C15H13F3N2O3S
MOLECULAR WEIGHT: 358.33553
SMILES: CS(=NC(=O)NC1=CC=C(C=C1)OC(F)(F)F)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C21H20ClN3O2S
MOLECULAR WEIGHT: 413.9204
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NOC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino] 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid [[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C22H19F3N2O2S
MOLECULAR WEIGHT: 432.45867
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
CAS Name: 6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-2-phenyl-2,3-dihydrothiopyran-4-one
IUPAC NAME: 6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
SYSTEMATIC NAME: 6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
MOLECULAR FORMULA: C19H15NO4S2
MOLECULAR WEIGHT: 385.4567
SMILES: C1C(SC(=CC1=O)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-tert-butylthiazol-2-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name: 1-(4-tert-butyl-2-thiazolyl)-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC NAME: 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
SYSTEMATIC NAME: 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
MOLECULAR FORMULA: C16H19NOS3
MOLECULAR WEIGHT: 337.52316
SMILES: CC(C)(C)C1=CSC(=N1)C2=C3CCCC(=O)C3=C(S2)SC
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Product OPENEYE NAME: ethyl 2-(3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl)thiazole-4-carboxylate
CAS Name: 2-[3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl]-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophen-1-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-(3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophen-1-yl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C15H15NO3S3
MOLECULAR WEIGHT: 353.4795
SMILES: CCOC(=O)C1=CSC(=N1)C2=C3CCCC(=O)C3=C(S2)SC
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Product OPENEYE NAME: (3E)-3-[[(5-chloro-2-pyridyl)amino]methylene]-1,5,6-trimethyl-2,2-dioxo-thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-3-[[(5-chloro-2-pyridinyl)amino]methylidene]-1,5,6-trimethyl-2,2-dioxo-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-3-[[(5-chloropyridin-2-yl)amino]methylidene]-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-3-[[(5-chloranylpyridin-2-yl)amino]methylidene]-1,5,6-trimethyl-2,2-bis(oxidanylidene)thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C15H14ClN3O3S2
MOLECULAR WEIGHT: 383.87296
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=NC=C(C=C3)Cl)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: N-(4-chlorophenyl)-2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxamide
CAS Name: N-(4-chlorophenyl)-2,9-bis(methylthio)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxamide
IUPAC NAME: N-(4-chlorophenyl)-2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2,9-bis(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxamide
MOLECULAR FORMULA: C19H16ClN3OS3
MOLECULAR WEIGHT: 433.99784
SMILES: CSC1=C2C(=C(S1)C(=O)NC3=CC=C(C=C3)Cl)CCC4=CN=C(N=C42)SC
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Product OPENEYE NAME: 6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
CAS Name: 6-[(3,3-dimethyl-2-oxobutyl)thio]-2-phenyl-2,3-dihydrothiopyran-4-one
IUPAC NAME: 6-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
SYSTEMATIC NAME: 6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-2-phenyl-2,3-dihydrothiopyran-4-one
MOLECULAR FORMULA: C17H20O2S2
MOLECULAR WEIGHT: 320.4695
SMILES: CC(C)(C)C(=O)CSC1=CC(=O)CC(S1)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 5-[2-[2-(4-chlorophenyl)-1-cyano-2-oxo-ethylidene]hydrazino]-3-methyl-isothiazole-4-carboxylate
CAS Name: 5-[2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl]-3-methyl-4-isothiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-[2-[2-(4-chlorophenyl)-1-cyano-2-oxidanylidene-ethylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylate
MOLECULAR FORMULA: C16H13ClN4O3S
MOLECULAR WEIGHT: 376.81742
SMILES: CCOC(=O)C1=C(SN=C1C)NN=C(C#N)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl 5-[2-(1-cyano-3,3-dimethyl-2-oxo-butylidene)hydrazino]-3-methyl-isothiazole-4-carboxylate
CAS Name: 5-[2-(1-cyano-3,3-dimethyl-2-oxobutylidene)hydrazinyl]-3-methyl-4-isothiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[2-(1-cyano-3,3-dimethyl-2-oxobutylidene)hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-[2-(1-cyano-3,3-dimethyl-2-oxidanylidene-butylidene)hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylate
MOLECULAR FORMULA: C14H18N4O3S
MOLECULAR WEIGHT: 322.38272
SMILES: CCOC(=O)C1=C(SN=C1C)NN=C(C#N)C(=O)C(C)(C)C
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Product OPENEYE NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-N-propan-2-ylacetamide
IUPAC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C17H19N3OS3
MOLECULAR WEIGHT: 377.54726
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NC(C)C)C
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyleneamino]-7-oxo-thiazolo[3,2-a]pyrimidine-5-carboxamide
CAS Name: N-[(4-chlorophenyl)methylideneamino]-7-oxo-5-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-[(4-chlorophenyl)methylideneamino]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methylideneamino]-7-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C14H9ClN4O2S
MOLECULAR WEIGHT: 332.76486
SMILES: C1=CC(=CC=C1C=NNC(=O)C2=CC(=O)N=C3N2C=CS3)Cl
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Product OPENEYE NAME: N-(2-thienylmethyl)benzenesulfonamide
CAS Name: N-(thiophen-2-ylmethyl)benzenesulfonamide
IUPAC NAME: N-(thiophen-2-ylmethyl)benzenesulfonamide
SYSTEMATIC NAME: N-(thiophen-2-ylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C11H11NO2S2
MOLECULAR WEIGHT: 253.34054
SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CS2
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Product OPENEYE NAME: N-(2-thienylmethyl)methanesulfonamide
CAS Name: N-(thiophen-2-ylmethyl)methanesulfonamide
IUPAC NAME: N-(thiophen-2-ylmethyl)methanesulfonamide
SYSTEMATIC NAME: N-(thiophen-2-ylmethyl)methanesulfonamide
MOLECULAR FORMULA: C6H9NO2S2
MOLECULAR WEIGHT: 191.27116
SMILES: CS(=O)(=O)NCC1=CC=CS1
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Product OPENEYE NAME: 1-methyl-3-[(2-phenylsulfanylacetyl)amino]thiourea
CAS Name: 1-methyl-3-[[1-oxo-2-(phenylthio)ethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[(2-phenylsulfanylacetyl)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-(2-phenylsulfanylethanoylamino)thiourea
MOLECULAR FORMULA: C10H13N3OS2
MOLECULAR WEIGHT: 255.35972
SMILES: CNC(=S)NNC(=O)CSC1=CC=CC=C1
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