Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzamide
CAS Name: 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
IUPAC NAME: 2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzamide
MOLECULAR FORMULA: C16H11ClN4O5
MOLECULAR WEIGHT: 374.73534
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)pentanamide
CAS Name: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)pentanamide
IUPAC NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)pentanamide
SYSTEMATIC NAME: N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)pentanamide
MOLECULAR FORMULA: C15H20N2OS
MOLECULAR WEIGHT: 276.3971
SMILES: CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C)CC
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Product OPENEYE NAME: ethyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CAS Name: 3-ethyl-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-ethyl-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C24H28N2O4S
MOLECULAR WEIGHT: 440.55512
SMILES: CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC
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Product OPENEYE NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C22H20ClN5O3S2
MOLECULAR WEIGHT: 502.0089
SMILES: CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N
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Product OPENEYE NAME: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-nitro-benzamide
CAS Name: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-nitrobenzamide
IUPAC NAME: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-nitrobenzamide
SYSTEMATIC NAME: N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-nitro-benzamide
MOLECULAR FORMULA: C17H16N4O5S2
MOLECULAR WEIGHT: 420.46274
SMILES: CCN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[6-(diisopropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CAS Name: 4-(dimethylamino)-N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]benzamide
IUPAC NAME: 4-(dimethylamino)-N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]benzamide
MOLECULAR FORMULA: C22H28N4O3S2
MOLECULAR WEIGHT: 460.61272
SMILES: CC(C)N(C(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N(C)C
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Product OPENEYE NAME: N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,2,2-trifluoro-acetamide
CAS Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2,2-trifluoroacetamide
IUPAC NAME: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C17H22F3N3O3S2
MOLECULAR WEIGHT: 437.50009
SMILES: CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(F)(F)F
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Product OPENEYE NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C24H25N5O4S2
MOLECULAR WEIGHT: 511.6164
SMILES: CCOCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N
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Product OPENEYE NAME: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thienyl)prop-2-enamide
CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thiophenyl)-2-propenamide
IUPAC NAME: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C18H16N4O6S2
MOLECULAR WEIGHT: 448.47284
SMILES: CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide
CAS Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
IUPAC NAME: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SYSTEMATIC NAME: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide
MOLECULAR FORMULA: C26H33N3O5S2
MOLECULAR WEIGHT: 531.68732
SMILES: CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C
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Product OPENEYE NAME: N-(3-allyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H16N2O3S
MOLECULAR WEIGHT: 352.40694
SMILES: C=CCN1C2=CC=CC=C2SC1=NC(=O)C3COC4=CC=CC=C4O3
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Product OPENEYE NAME: methyl 4-[(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CAS Name: 4-[[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
SYSTEMATIC NAME: methyl 4-[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
MOLECULAR FORMULA: C20H18N2O5S2
MOLECULAR WEIGHT: 430.49732
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC=C
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Product OPENEYE NAME: 2,4-dimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 2,4-dimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 2,4-dimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 2,4-dimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C20H18N2O3S
MOLECULAR WEIGHT: 366.43352
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=C(C=C3)OC)OC)S2)CC#C
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Product OPENEYE NAME: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(2-pyridylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
CAS Name: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(2-pyridinylthio)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C37H35N3O4S
MOLECULAR WEIGHT: 617.7565
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C5=CN=CC=C5)CSC6=CC=CC=N6
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Product OPENEYE NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
CAS Name: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
IUPAC NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
SYSTEMATIC NAME: 1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
MOLECULAR FORMULA: C35H36N6O5S
MOLECULAR WEIGHT: 652.76254
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=NN=NN6C
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Product OPENEYE NAME: methyl 2-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenyl-propanoate
CAS Name: 2-[[[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl 2-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl 2-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C40H42N4O6S2
MOLECULAR WEIGHT: 738.91468
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)NC(CC5=CC=CC=C5)C(=O)OC)CSC6=NN=C(S6)C
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Product OPENEYE NAME: ethyl 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]acetate
CAS Name: 2-[[[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-oxomethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]acetate
SYSTEMATIC NAME: ethyl 2-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]ethanoate
MOLECULAR FORMULA: C41H53N3O6
MOLECULAR WEIGHT: 683.87602
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)C3OC(C(C(O3)C4=CC=C(C=C4)CO)C)CN5CC6(CC5CC(C6)(C)C)C
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Product OPENEYE NAME: 1-benzyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]urea
CAS Name: 1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]urea
SYSTEMATIC NAME: 1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl-(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]-1,3-dioxan-2-yl]phenyl]-3-(phenylmethyl)urea
MOLECULAR FORMULA: C37H43N3O5
MOLECULAR WEIGHT: 609.75442
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NCC4=CC=CC=C4)CN(C)C(C)C(C5=CC=CC=C5)O
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Product OPENEYE NAME: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CAS Name: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
IUPAC NAME: 2,3,4,5,6-pentafluoro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C40H32F5N5O4S
MOLECULAR WEIGHT: 773.770196
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=NN=NN6C7=CC=CC=C7
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