Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-(cyclopropanecarbonylamino)-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiophene-2-carboxamide
CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-2-thiophenecarboxamide
IUPAC NAME: 5-(cyclopropanecarbonylamino)-3-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-(cyclopropylcarbonylamino)-3-methyl-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C15H20N2O4S2
MOLECULAR WEIGHT: 356.4603
SMILES: CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N[C@]3(CCS(=O)(=O)C3)C
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Product OPENEYE NAME: 5-(cyclopropanecarbonylamino)-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiophene-2-carboxamide
CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-2-thiophenecarboxamide
IUPAC NAME: 5-(cyclopropanecarbonylamino)-3-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-(cyclopropylcarbonylamino)-3-methyl-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C15H20N2O4S2
MOLECULAR WEIGHT: 356.4603
SMILES: CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N[C@@]3(CCS(=O)(=O)C3)C
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Product OPENEYE NAME: 5-(2-furyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]isoxazole-3-carboxamide
CAS Name: 5-(2-furanyl)-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-3-isoxazolecarboxamide
IUPAC NAME: 5-(furan-2-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-(furan-2-yl)-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C13H14N2O5S
MOLECULAR WEIGHT: 310.32566
SMILES: C[C@]1(CCS(=O)(=O)C1)NC(=O)C2=NOC(=C2)C3=CC=CO3
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Product OPENEYE NAME: 5-(2-furyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]isoxazole-3-carboxamide
CAS Name: 5-(2-furanyl)-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-3-isoxazolecarboxamide
IUPAC NAME: 5-(furan-2-yl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-(furan-2-yl)-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C13H14N2O5S
MOLECULAR WEIGHT: 310.32566
SMILES: C[C@@]1(CCS(=O)(=O)C1)NC(=O)C2=NOC(=C2)C3=CC=CO3
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Product OPENEYE NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-[2-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C17H14F3N3O2
MOLECULAR WEIGHT: 349.30717
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-benzamide
CAS Name: 4-(difluoromethylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
IUPAC NAME: 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
SYSTEMATIC NAME: 4-[bis(fluoranyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-benzamide
MOLECULAR FORMULA: C18H17F2NO3S
MOLECULAR WEIGHT: 365.394286
SMILES: CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=C(C=C3)SC(F)F
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Product OPENEYE NAME: N-(2-methoxy-5-nitro-phenyl)-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide
CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]propanamide
IUPAC NAME: N-(2-methoxy-5-nitrophenyl)-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SYSTEMATIC NAME: N-(2-methoxy-5-nitro-phenyl)-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide
MOLECULAR FORMULA: C20H20N4O5S
MOLECULAR WEIGHT: 428.4616
SMILES: COC1=CC=C(C=C1)N2C=CN=C2SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-(2,4-dimethoxyphenyl)acetate
CAS Name: 2-(2,4-dimethoxyphenyl)acetic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-(2,4-dimethoxyphenyl)acetate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-(2,4-dimethoxyphenyl)ethanoate
MOLECULAR FORMULA: C21H21N3O5S
MOLECULAR WEIGHT: 427.47354
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CC3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-hydroxyethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
MOLECULAR FORMULA: C11H11NO7
MOLECULAR WEIGHT: 269.20754
SMILES: C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCO
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Product OPENEYE NAME: 3-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CAS Name: 3-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-N-(2-nitrophenyl)propanamide
IUPAC NAME: 3-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide
MOLECULAR FORMULA: C18H15FN4O3S
MOLECULAR WEIGHT: 386.400103
SMILES: C1=CC=C(C(=C1)NC(=O)CCSC2=NC=CN2C3=CC(=CC=C3)F)[N+](=O)[O-]
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Product OPENEYE NAME: N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-butyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C20H19F3N4O2
MOLECULAR WEIGHT: 404.38567
SMILES: CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: [(1R)-1-(2-chlorophenyl)-2-(thiophene-3-carbonylamino)ethyl]-diethyl-ammonium
CAS Name: [(1R)-1-(2-chlorophenyl)-2-[[oxo(3-thiophenyl)methyl]amino]ethyl]-diethylammonium
IUPAC NAME: [(1R)-1-(2-chlorophenyl)-2-(thiophene-3-carbonylamino)ethyl]-diethylazanium
SYSTEMATIC NAME: [(1R)-1-(2-chlorophenyl)-2-(thiophen-3-ylcarbonylamino)ethyl]-diethyl-azanium
MOLECULAR FORMULA: C17H22ClN2OS+
MOLECULAR WEIGHT: 337.88738
SMILES: CC[NH+](CC)[C@@H](CNC(=O)C1=CSC=C1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-thiophenecarboxamide
IUPAC NAME: N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C17H21ClN2OS
MOLECULAR WEIGHT: 336.87944
SMILES: CCN(CC)[C@@H](CNC(=O)C1=CSC=C1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: [(1S)-1-(2-chlorophenyl)-2-(thiophene-3-carbonylamino)ethyl]-diethyl-ammonium
CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[oxo(3-thiophenyl)methyl]amino]ethyl]-diethylammonium
IUPAC NAME: [(1S)-1-(2-chlorophenyl)-2-(thiophene-3-carbonylamino)ethyl]-diethylazanium
SYSTEMATIC NAME: [(1S)-1-(2-chlorophenyl)-2-(thiophen-3-ylcarbonylamino)ethyl]-diethyl-azanium
MOLECULAR FORMULA: C17H22ClN2OS+
MOLECULAR WEIGHT: 337.88738
SMILES: CC[NH+](CC)[C@H](CNC(=O)C1=CSC=C1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-thiophenecarboxamide
IUPAC NAME: N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
SYSTEMATIC NAME: N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-3-carboxamide
MOLECULAR FORMULA: C17H21ClN2OS
MOLECULAR WEIGHT: 336.87944
SMILES: CCN(CC)[C@H](CNC(=O)C1=CSC=C1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: [(1R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium
CAS Name: [(1R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1-phenylethyl]-diethylammonium
IUPAC NAME: [(1R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenylethyl]-diethylazanium
SYSTEMATIC NAME: [(1R)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenyl-ethyl]-diethyl-azanium
MOLECULAR FORMULA: C22H27N2O3+
MOLECULAR WEIGHT: 367.46138
SMILES: CC[NH+](CC)[C@@H](CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(diethylamino)-2-phenyl-ethyl]prop-2-enamide
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(diethylamino)-2-phenylethyl]-2-propenamide
IUPAC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(diethylamino)-2-phenylethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(diethylamino)-2-phenyl-ethyl]prop-2-enamide
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CCN(CC)[C@@H](CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium
CAS Name: [(1S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1-phenylethyl]-diethylammonium
IUPAC NAME: [(1S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenylethyl]-diethylazanium
SYSTEMATIC NAME: [(1S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-phenyl-ethyl]-diethyl-azanium
MOLECULAR FORMULA: C22H27N2O3+
MOLECULAR WEIGHT: 367.46138
SMILES: CC[NH+](CC)[C@H](CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]prop-2-enamide
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-propenamide
IUPAC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(diethylamino)-2-phenylethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]prop-2-enamide
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CCN(CC)[C@H](CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3
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