Sunday, October 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-chloro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
CAS Name: 4-chloro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
IUPAC NAME: 4-chloro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-oxidanylidene-3,1-benzothiazin-2-yl)benzamide
MOLECULAR FORMULA: C15H9ClN2O2S
MOLECULAR WEIGHT: 316.76216
SMILES: C1=CC=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CAS Name: 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
IUPAC NAME: 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(6,7-dimethoxy-4-oxidanylidene-3,1-benzothiazin-2-yl)benzamide
MOLECULAR FORMULA: C17H13ClN2O4S
MOLECULAR WEIGHT: 376.81412
SMILES: COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl)OC
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Product OPENEYE NAME: methyl 3-[(4-pentylbenzoyl)carbamothioylamino]thiophene-2-carboxylate
CAS Name: 3-[[[[oxo-(4-pentylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(4-pentylbenzoyl)carbamothioylamino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(4-pentylphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C19H22N2O3S2
MOLECULAR WEIGHT: 390.51958
SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(SC=C2)C(=O)OC
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Product OPENEYE NAME: N-(6,8-dibromo-4-oxo-3,1-benzothiazin-2-yl)-4-pentyl-benzamide
CAS Name: N-(6,8-dibromo-4-oxo-3,1-benzothiazin-2-yl)-4-pentylbenzamide
IUPAC NAME: N-(6,8-dibromo-4-oxo-3,1-benzothiazin-2-yl)-4-pentylbenzamide
SYSTEMATIC NAME: N-[6,8-bis(bromanyl)-4-oxidanylidene-3,1-benzothiazin-2-yl]-4-pentyl-benzamide
MOLECULAR FORMULA: C20H18Br2N2O2S
MOLECULAR WEIGHT: 510.24212
SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3C(=O)S2)Br)Br
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Product OPENEYE NAME: ethyl 1-methyl-5-[(4-pentylbenzoyl)carbamothioylamino]pyrazole-4-carboxylate
CAS Name: 1-methyl-5-[[[[oxo-(4-pentylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-methyl-5-[(4-pentylbenzoyl)carbamothioylamino]pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-5-[(4-pentylphenyl)carbonylcarbamothioylamino]pyrazole-4-carboxylate
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C)C(=O)OCC
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Product OPENEYE NAME: 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
CAS Name: 2-chloro-4-fluoro-N-(4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
IUPAC NAME: 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-N-(4-oxidanylidenethieno[3,2-d][1,3]thiazin-2-yl)benzamide
MOLECULAR FORMULA: C13H6ClFN2O2S2
MOLECULAR WEIGHT: 340.780343
SMILES: C1=CC(=C(C=C1F)Cl)C(=O)NC2=NC3=C(C(=O)S2)SC=C3
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Product OPENEYE NAME: 2-chloro-4-fluoro-N-(7-methyl-4-oxo-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
CAS Name: 2-chloro-4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
IUPAC NAME: 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-N-(7-methyl-4-oxidanylidene-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
MOLECULAR FORMULA: C14H8ClFN2O2S2
MOLECULAR WEIGHT: 354.806923
SMILES: CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=C(C=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
CAS Name: 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
IUPAC NAME: 2-chloro-4-fluoro-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-N-(4-oxidanylidene-3,1-benzothiazin-2-yl)benzamide
MOLECULAR FORMULA: C15H8ClFN2O2S
MOLECULAR WEIGHT: 334.752623
SMILES: C1=CC=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=C(C=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluoro-benzamide
CAS Name: 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
IUPAC NAME: 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(6,7-dimethoxy-4-oxidanylidene-3,1-benzothiazin-2-yl)-4-fluoranyl-benzamide
MOLECULAR FORMULA: C17H12ClFN2O4S
MOLECULAR WEIGHT: 394.804583
SMILES: COC1=C(C=C2C(=C1)C(=O)SC(=N2)NC(=O)C3=C(C=C(C=C3)F)Cl)OC
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Product OPENEYE NAME: 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
CAS Name: 4-fluoro-N-(4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
IUPAC NAME: 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-(4-oxidanylidenethieno[3,2-d][1,3]thiazin-2-yl)benzamide
MOLECULAR FORMULA: C13H7FN2O2S2
MOLECULAR WEIGHT: 306.335283
SMILES: C1=CC(=CC=C1C(=O)NC2=NC3=C(C(=O)S2)SC=C3)F
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Product OPENEYE NAME: 4-fluoro-N-(7-methyl-4-oxo-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
CAS Name: 4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
IUPAC NAME: 4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-(7-methyl-4-oxidanylidene-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
MOLECULAR FORMULA: C14H9FN2O2S2
MOLECULAR WEIGHT: 320.361863
SMILES: CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-methyl-N-(7-methyl-4-oxo-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
CAS Name: 2-methyl-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
IUPAC NAME: 2-methyl-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SYSTEMATIC NAME: 2-methyl-N-(7-methyl-4-oxidanylidene-thieno[3,2-d][1,3]thiazin-2-yl)benzamide
MOLECULAR FORMULA: C15H12N2O2S2
MOLECULAR WEIGHT: 316.39798
SMILES: CC1=CC=CC=C1C(=O)NC2=NC3=C(C(=O)S2)SC=C3C
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Product OPENEYE NAME: [[1-amino-3-[4-(4-chlorophenoxy)-3,5-dimethyl-pyrazol-1-yl]propylidene]amino] 3,5-dichlorobenzoate
CAS Name: 3,5-dichlorobenzoic acid [[1-amino-3-[4-(4-chlorophenoxy)-3,5-dimethyl-1-pyrazolyl]propylidene]amino] ester
IUPAC NAME: [[1-amino-3-[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]propylidene]amino] 3,5-dichlorobenzoate
SYSTEMATIC NAME: [[1-azanyl-3-[4-(4-chloranylphenoxy)-3,5-dimethyl-pyrazol-1-yl]propylidene]amino] 3,5-bis(chloranyl)benzoate
MOLECULAR FORMULA: C21H19Cl3N4O3
MOLECULAR WEIGHT: 481.75956
SMILES: CC1=C(C(=NN1CCC(=NOC(=O)C2=CC(=CC(=C2)Cl)Cl)N)C)OC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N'-[5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethyl-formamidine
CAS Name: N'-[5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
IUPAC NAME: N'-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-[5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H13ClN4OS2
MOLECULAR WEIGHT: 340.85152
SMILES: CN(C)C=NC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 5,6-dimethoxy-3-phenyl-indan-1-one
CAS Name: 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
IUPAC NAME: 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: COC1=C(C=C2C(=O)CC(C2=C1)C3=CC=CC=C3)OC
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indan-1-one
CAS Name: 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=CC(=C(C=C23)OC)OC)OC
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Product OPENEYE NAME: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-ethyl-5-methyl-pyrazole-3-carboxylate
CAS Name: 2-ethyl-5-methyl-3-pyrazolecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chlorophenyl)-2-oxoethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-ethyl-5-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C15H15ClN2O3
MOLECULAR WEIGHT: 306.7442
SMILES: CCN1C(=CC(=N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 6-chloro-2-methyl-thiochromen-4-one
CAS Name: 6-chloro-2-methyl-1-benzothiopyran-4-one
IUPAC NAME: 6-chloro-2-methylthiochromen-4-one
SYSTEMATIC NAME: 6-chloranyl-2-methyl-thiochromen-4-one
MOLECULAR FORMULA: C10H7ClOS
MOLECULAR WEIGHT: 210.67998
SMILES: CC1=CC(=O)C2=C(S1)C=CC(=C2)Cl
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Product OPENEYE NAME: 2-phenyl-3-(2,4,6-triisopropylphenyl)sulfanyl-imidazo[1,2-a]pyrimidine
CAS Name: 2-phenyl-3-[[2,4,6-tri(propan-2-yl)phenyl]thio]imidazo[1,2-a]pyrimidine
IUPAC NAME: 2-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylimidazo[1,2-a]pyrimidine
SYSTEMATIC NAME: 2-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanyl-imidazo[1,2-a]pyrimidine
MOLECULAR FORMULA: C27H31N3S
MOLECULAR WEIGHT: 429.62014
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)SC2=C(N=C3N2C=CC=N3)C4=CC=CC=C4)C(C)C
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Product OPENEYE NAME: 1-acetylpyrrolidine-2-carboxylic acid hydrate
CAS Name: 1-acetyl-2-pyrrolidinecarboxylic acid hydrate
IUPAC NAME: 1-acetylpyrrolidine-2-carboxylic acid hydrate
SYSTEMATIC NAME: 1-ethanoylpyrrolidine-2-carboxylic acid hydrate
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: CC(=O)N1CCCC1C(=O)O.O
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Product OPENEYE NAME: 1-cyclohexyl-3-phenyl-2H-pyridine-5,6-dione
CAS Name: 1-cyclohexyl-3-phenyl-2H-pyridine-5,6-dione
IUPAC NAME: 1-cyclohexyl-3-phenyl-2H-pyridine-5,6-dione
SYSTEMATIC NAME: 1-cyclohexyl-3-phenyl-2H-pyridine-5,6-dione
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: C1CCC(CC1)N2CC(=CC(=O)C2=O)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(4-methoxyphenyl)-1H-pyridazin-6-one
CAS Name: 3-(4-methoxyphenyl)-1H-pyridazin-6-one
IUPAC NAME: 3-(4-methoxyphenyl)-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1H-pyridazin-6-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: COC1=CC=C(C=C1)C2=NNC(=O)C=C2
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Product OPENEYE NAME: 1-(2-carboxy-1-naphthyl)naphthalene-2-carboxylic acid
CAS Name: 1-(2-carboxy-1-naphthalenyl)-2-naphthalenecarboxylic acid
IUPAC NAME: 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C22H14O4
MOLECULAR WEIGHT: 342.34416
SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)C(=O)O)C(=O)O
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