Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-[[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[1-oxo-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C25H29N3O7S2
MOLECULAR WEIGHT: 547.64366
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC
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Product OPENEYE NAME: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-cyclohexyl-acetamide
CAS Name: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-cyclohexylacetamide
IUPAC NAME: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-cyclohexylacetamide
SYSTEMATIC NAME: 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-N-cyclohexyl-ethanamide
MOLECULAR FORMULA: C16H18ClN3O4S
MOLECULAR WEIGHT: 383.84982
SMILES: C1CCC(CC1)NC(=O)CS(=O)(=O)C2=NN=C(O2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CAS Name: 2-[[1-(4-chlorophenyl)-2-imidazolyl]thio]-N-(2-fluorophenyl)acetamide
IUPAC NAME: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
MOLECULAR FORMULA: C17H13ClFN3OS
MOLECULAR WEIGHT: 361.821023
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl)F
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Product OPENEYE NAME: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide
CAS Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide
IUPAC NAME: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SYSTEMATIC NAME: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide
MOLECULAR FORMULA: C23H26N4O6S2
MOLECULAR WEIGHT: 518.60574
SMILES: CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C)[N+](=O)[O-])OC
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Product OPENEYE NAME: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
IUPAC NAME: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
SYSTEMATIC NAME: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
MOLECULAR FORMULA: C18H18ClN3O3S2
MOLECULAR WEIGHT: 423.93682
SMILES: CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)N2C
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Product OPENEYE NAME: 4-nitro-N-[(5-nitro-2-piperazin-1-yl-phenyl)methyleneamino]benzamide
CAS Name: 4-nitro-N-[[5-nitro-2-(1-piperazinyl)phenyl]methylideneamino]benzamide
IUPAC NAME: 4-nitro-N-[(5-nitro-2-piperazin-1-ylphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-nitro-N-[(5-nitro-2-piperazin-1-yl-phenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C18H18N6O5
MOLECULAR WEIGHT: 398.37272
SMILES: C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(5-bromo-2-thienyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CAS Name: 3-[(5-bromo-2-thiophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
IUPAC NAME: 3-[(5-bromothiophen-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 3-[(5-bromanylthiophen-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
MOLECULAR FORMULA: C23H19BrN2S
MOLECULAR WEIGHT: 435.37936
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(S3)Br)C4=C(NC5=CC=CC=C54)C
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Product OPENEYE NAME: 2-(3-cycloheptyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-(p-tolyl)acetamide
CAS Name: 2-(3-cycloheptyl-2-ethylimino-4-oxo-5-thiazolidinyl)-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-(3-cycloheptyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-(3-cycloheptyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C21H29N3O2S
MOLECULAR WEIGHT: 387.53886
SMILES: CCN=C1N(C(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C)C3CCCCCC3
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Product OPENEYE NAME: 4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[2-(p-tolyl)ethyl]benzamide
CAS Name: N-[2-(4-methylphenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
IUPAC NAME: N-[2-(4-methylphenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SYSTEMATIC NAME: N-[2-(4-methylphenyl)ethyl]-4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
MOLECULAR FORMULA: C23H21N3O2S2
MOLECULAR WEIGHT: 435.56174
SMILES: CC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=S
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Product OPENEYE NAME: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CAS Name: 2-(phenacylthio)-3-(2-pyridin-1-iumylmethyl)-4-thieno[3,2-d]pyrimidinone
IUPAC NAME: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C20H16N3O2S2+
MOLECULAR WEIGHT: 394.48994
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3
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Product OPENEYE NAME: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(2-pyridylmethyl)thieno[3,2-d]pyrimidin-4-one
CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(2-pyridinylmethyl)-4-thieno[3,2-d]pyrimidinone
IUPAC NAME: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C20H14ClN3O2S2
MOLECULAR WEIGHT: 427.92706
SMILES: C1=CC=NC(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CAS Name: 2-[[(3-fluoroanilino)-oxomethyl]-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C29H31FN4O3
MOLECULAR WEIGHT: 502.579843
SMILES: COCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)F
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