Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (3-oxobenzo[f]chromen-1-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester
IUPAC NAME: (3-oxobenzo[f]chromen-1-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C24H16O5
MOLECULAR WEIGHT: 384.38084
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-(p-tolylmethylsulfanyl)acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylthio]acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamide
MOLECULAR FORMULA: C18H21NOS
MOLECULAR WEIGHT: 299.43044
SMILES: CC1=CC=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)C)C
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C13H17ClN3O2S+
MOLECULAR WEIGHT: 314.81098
SMILES: C[C@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C13H16ClN3O2S
MOLECULAR WEIGHT: 313.80304
SMILES: C[C@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H26ClN4O4S+
MOLECULAR WEIGHT: 417.93074
SMILES: CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(isobutylcarbamoyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H25ClN4O4S
MOLECULAR WEIGHT: 416.9228
SMILES: CC(C)CNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-4-[methyl(p-tolylsulfonyl)amino]benzamide
CAS Name: N-(3,4-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide
MOLECULAR FORMULA: C23H24N2O3S
MOLECULAR WEIGHT: 408.51326
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)C
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Product OPENEYE NAME: 1-allyl-3-[2-[(5Z)-5-[(2-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-prop-2-enylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C16H16ClN3O2S2
MOLECULAR WEIGHT: 381.90014
SMILES: C=CCNC(=S)NCCN1C(=O)/C(=C/C2=CC=CC=C2Cl)/SC1=O
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H24ClN4O4S+
MOLECULAR WEIGHT: 403.90416
SMILES: CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H23ClN4O4S
MOLECULAR WEIGHT: 402.89622
SMILES: CCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-methylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-methylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-thiourea
MOLECULAR FORMULA: C14H14ClN3O2S2
MOLECULAR WEIGHT: 355.86286
SMILES: CNC(=S)NCCN1C(=O)/C(=C/C2=CC=CC=C2Cl)/SC1=O
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