All Chemical Compounds

Monday, April 1, 2013

All Chemical Compounds Information

Product OPENEYE NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H25Cl2N3O
MOLECULAR WEIGHT: 406.3487
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-[[(2S)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
MOLECULAR FORMULA: C19H23N3O3S2
MOLECULAR WEIGHT: 405.53422
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC[C@@H]3CCCO3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenoxy)propanoate
CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
MOLECULAR FORMULA: C22H31N3O4
MOLECULAR WEIGHT: 401.49924
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)CCOC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H27ClFN3O+2
MOLECULAR WEIGHT: 391.909983
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H25ClFN3O
MOLECULAR WEIGHT: 389.894103
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-(4-fluorophenyl)prop-2-enamide
CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(4-fluorophenyl)-2-propenamide
IUPAC NAME: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C18H17ClFNO3
MOLECULAR WEIGHT: 349.783883
SMILES: CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)F)Cl)OC
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Product OPENEYE NAME: 3-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4,5-dimethoxy-benzamide
CAS Name: 3-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]-4,5-dimethoxybenzamide
IUPAC NAME: 3-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4,5-dimethoxybenzamide
SYSTEMATIC NAME: 3-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4,5-dimethoxy-benzamide
MOLECULAR FORMULA: C18H19ClFNO3S
MOLECULAR WEIGHT: 383.864763
SMILES: COC1=C(C(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)Cl)OC
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H29N4O4S+
MOLECULAR WEIGHT: 397.51226
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H28N4O4S
MOLECULAR WEIGHT: 396.50432
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(N-isopropylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C25H36N4O2+2
MOLECULAR WEIGHT: 424.57894
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N(C3=CC=CC=C3)C(C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(N-isopropylanilino)-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H34N4O2
MOLECULAR WEIGHT: 422.56306
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N(C3=CC=CC=C3)C(C)C
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide
CAS Name: N-(4-fluorophenyl)-2-[[(4-methyl-2-thiazolyl)thio]methyl]benzamide
IUPAC NAME: N-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
MOLECULAR FORMULA: C18H15FN2OS2
MOLECULAR WEIGHT: 358.452903
SMILES: CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3
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All Chemical Compounds Information

Product OPENEYE NAME: 6-chloro-4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]-7-methyl-chromen-2-one
CAS Name: 6-chloro-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-chloro-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN[C@H](C)C(C)C)Cl
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Product OPENEYE NAME: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1S)-1,2-dimethylpropyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C17H24NO3+
MOLECULAR WEIGHT: 290.37736
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@@H](C)C(C)C)O
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Product OPENEYE NAME: 4-[[[(1S)-1,2-dimethylpropyl]amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one
CAS Name: 6-ethyl-7-hydroxy-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-ethyl-7-hydroxy-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-ethyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@@H](C)C(C)C)O
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: (2S)-N-(4-fluorophenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide
CAS Name: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide
IUPAC NAME: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C19H21FN2O3S
MOLECULAR WEIGHT: 376.445043
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-furylmethyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C19H19N3O3S2
MOLECULAR WEIGHT: 401.50246
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NCC3=CC=CO3
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Product OPENEYE NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H28BrN3O+2
MOLECULAR WEIGHT: 418.37052
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H26BrN3O
MOLECULAR WEIGHT: 416.35464
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)Br
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Product OPENEYE NAME: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1R)-1,2-dimethylpropyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C17H24NO3+
MOLECULAR WEIGHT: 290.37736
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C)C(C)C)O
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Product OPENEYE NAME: 4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one
CAS Name: 6-ethyl-7-hydroxy-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-ethyl-7-hydroxy-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-ethyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@H](C)C(C)C)O
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Product OPENEYE NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
CAS Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C23H31N3O3+2
MOLECULAR WEIGHT: 397.51054
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]benzoate
CAS Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C23H29N3O3
MOLECULAR WEIGHT: 395.49466
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-propyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
MOLECULAR FORMULA: C17H21N3O2S2
MOLECULAR WEIGHT: 363.49754
SMILES: CCCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenoxy)propanoate
CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
MOLECULAR FORMULA: C22H31N3O4
MOLECULAR WEIGHT: 401.49924
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CCOC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (2R)-N-(4-fluorophenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide
CAS Name: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide
IUPAC NAME: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C19H21FN2O3S
MOLECULAR WEIGHT: 376.445043
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
MOLECULAR FORMULA: C21H29N2O4S+
MOLECULAR WEIGHT: 405.53096
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC
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Product OPENEYE NAME: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2-chloro-3-imidazo[1,2-a]pyridinyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chloranylimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C19H17ClFN3OS
MOLECULAR WEIGHT: 389.874183
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=C(N=C3N2C=CC=C3)Cl)F
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Product OPENEYE NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2,4-dichlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H27Cl2N3O+2
MOLECULAR WEIGHT: 408.36458
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-methylallyl)thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C18H21N3O2S2
MOLECULAR WEIGHT: 375.50824
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NCC(=C)C
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Product OPENEYE NAME: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C18H28N3O5S+
MOLECULAR WEIGHT: 398.49702
SMILES: C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C18H27N3O5S
MOLECULAR WEIGHT: 397.48908
SMILES: C[C@H](C(=O)NC1CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]acetamide
CAS Name: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]acetamide
IUPAC NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]acetamide
SYSTEMATIC NAME: 2-(1-adamantyl)-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]ethanamide
MOLECULAR FORMULA: C23H31FN2O2S
MOLECULAR WEIGHT: 418.567843
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)NCCSCC4=CC=CC=C4F
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H29ClN3O3S+
MOLECULAR WEIGHT: 402.95916
SMILES: CC(C)N(C(C)C)C(=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,N-diisopropyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H28ClN3O3S
MOLECULAR WEIGHT: 401.95122
SMILES: CC(C)N(C(C)C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-fluorophenyl)thiourea
CAS Name: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C20H18FN3O2S2
MOLECULAR WEIGHT: 415.504223
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC3=CC=CC=C3F
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Product OPENEYE NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C20H20FNO3S
MOLECULAR WEIGHT: 373.441103
SMILES: C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1S)-1,2-dimethylpropyl]ammonium
CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C16H21ClNO2+
MOLECULAR WEIGHT: 294.79644
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@@H](C)C(C)C)Cl
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Product OPENEYE NAME: 6-chloro-4-[[[(1S)-1,2-dimethylpropyl]amino]methyl]-7-methyl-chromen-2-one
CAS Name: 6-chloro-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-chloro-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN[C@@H](C)C(C)C)Cl
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C24H31N5O2+2
MOLECULAR WEIGHT: 421.53524
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=O)N4C(=CC=CC4=N3)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C24H29N5O2
MOLECULAR WEIGHT: 419.51936
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC(=O)N4C(=CC=CC4=N3)C
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(1R)-1,2-dimethylpropyl]ammonium
CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C16H21ClNO2+
MOLECULAR WEIGHT: 294.79644
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@H](C)C(C)C)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C17H26ClN3O3S
MOLECULAR WEIGHT: 387.92464
SMILES: CCC[C@@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-methoxyethyl)thiourea
CAS Name: 1-(2-methoxyethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-(2-methoxyethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C17H21N3O3S2
MOLECULAR WEIGHT: 379.49694
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NCCOC
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CCC[C@H](C)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-[(1S)-1-methylbutyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C17H26ClN3O3S
MOLECULAR WEIGHT: 387.92464
SMILES: CCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C18H28N3O5S+
MOLECULAR WEIGHT: 398.49702
SMILES: C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-cyclopropyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C18H27N3O5S
MOLECULAR WEIGHT: 397.48908
SMILES: C[C@@H](C(=O)NC1CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-isopropyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propan-2-ylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propan-2-ylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propan-2-yl-thiourea
MOLECULAR FORMULA: C17H21N3O2S2
MOLECULAR WEIGHT: 363.49754
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC(C)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H29ClN3O3S+
MOLECULAR WEIGHT: 414.96986
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C19H28ClN3O3S
MOLECULAR WEIGHT: 413.96192
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-2-imidazo[1,2-a]pyridinecarboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CN3C=CC=CC3=N2)C
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All Chemical Compounds Information

Product OPENEYE NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15ClO5
MOLECULAR WEIGHT: 358.7724
SMILES: C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4OC3)Cl
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Product OPENEYE NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CAS Name: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide
IUPAC NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
SYSTEMATIC NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
MOLECULAR FORMULA: C19H20FNOS3
MOLECULAR WEIGHT: 393.561603
SMILES: C1CSC(S1)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-ethyl-thiourea
CAS Name: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C16H19N3O2S2
MOLECULAR WEIGHT: 349.47096
SMILES: CCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C21H27N3O5
MOLECULAR WEIGHT: 401.45618
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C16H25ClN3O3S+
MOLECULAR WEIGHT: 374.906
SMILES: CC(C)CNC(=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-isobutyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C16H24ClN3O3S
MOLECULAR WEIGHT: 373.89806
SMILES: CC(C)CNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15NO7
MOLECULAR WEIGHT: 369.3249
SMILES: C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4OC3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NN3C(=CC=NC3=N2)C)C
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Product OPENEYE NAME: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
IUPAC NAME: (6,7-dimethyl-2-oxochromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C21H23FNO2+
MOLECULAR WEIGHT: 340.411223
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)C)C
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Product OPENEYE NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-chromen-2-one
CAS Name: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one
IUPAC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethylchromen-2-one
SYSTEMATIC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-chromen-2-one
MOLECULAR FORMULA: C21H22FNO2
MOLECULAR WEIGHT: 339.403283
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)C)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CCC(CC)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-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C17H26ClN3O3S
MOLECULAR WEIGHT: 387.92464
SMILES: CCC(CC)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3N2)C
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Product OPENEYE NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium
IUPAC NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
SYSTEMATIC NAME: ethyl-[(3-fluorophenyl)methyl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium
MOLECULAR FORMULA: C20H21FNO3+
MOLECULAR WEIGHT: 342.384043
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3C)O
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Product OPENEYE NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methyl-chromen-2-one
CAS Name: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one
IUPAC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methylchromen-2-one
SYSTEMATIC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C20H20FNO3
MOLECULAR WEIGHT: 341.376103
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3C)O
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Product OPENEYE NAME: 1-cyclohexyl-3-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C20H25N3O2S2
MOLECULAR WEIGHT: 403.5614
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC3CCCCC3
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Product OPENEYE NAME: 4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
CAS Name: 4-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(methylsulfamoyl)benzamide
IUPAC NAME: 4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
MOLECULAR FORMULA: C17H18ClFN2O3S2
MOLECULAR WEIGHT: 416.917823
SMILES: CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)Cl
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C21H27N3O5
MOLECULAR WEIGHT: 401.45618
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzamide
CAS Name: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzamide
MOLECULAR FORMULA: C24H23FN2O4
MOLECULAR WEIGHT: 422.448823
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CCC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C18H20ClFN2O3S
MOLECULAR WEIGHT: 398.879403
SMILES: C1CN(CCN1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C#N)C
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-methyl-thiourea
CAS Name: 1-methyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-methyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C15H17N3O2S2
MOLECULAR WEIGHT: 335.44438
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC
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Product OPENEYE NAME: [(1R)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15Cl2NO4
MOLECULAR WEIGHT: 392.2327
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate
CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate
SYSTEMATIC NAME: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate
MOLECULAR FORMULA: C18H18FNO3S
MOLECULAR WEIGHT: 347.403823
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-[(3-fluorophenyl)methyl]ammonium
CAS Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-[(3-fluorophenyl)methyl]ammonium
IUPAC NAME: ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[(3-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(3-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C21H23FNO3+
MOLECULAR WEIGHT: 356.410623
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC3=CC(=CC=C3)F)O
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Product OPENEYE NAME: 6-ethyl-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-chromen-2-one
CAS Name: 6-ethyl-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-1-benzopyran-2-one
IUPAC NAME: 6-ethyl-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxychromen-2-one
SYSTEMATIC NAME: 6-ethyl-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C21H22FNO3
MOLECULAR WEIGHT: 355.402683
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC)CC3=CC(=CC=C3)F)O
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Product OPENEYE NAME: 1-butyl-3-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-butyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-butyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-butyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C18H23N3O2S2
MOLECULAR WEIGHT: 377.52412
SMILES: CCCCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=O
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Product OPENEYE NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone
CAS Name: 1-[3-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone
IUPAC NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone
MOLECULAR FORMULA: C20H24ClN2O4S+
MOLECULAR WEIGHT: 423.93356
SMILES: CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone
CAS Name: 1-[3-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-4-methoxyphenyl]ethanone
IUPAC NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methoxy-phenyl]ethanone
MOLECULAR FORMULA: C20H23ClN2O4S
MOLECULAR WEIGHT: 422.92562
SMILES: CC(=O)C1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (5S,7R)-3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CAS Name: (5S,7R)-3-chloro-N-(3,4-dimethylphenyl)-1-adamantanecarboxamide
IUPAC NAME: (5S,7R)-3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
SYSTEMATIC NAME: (5S,7R)-3-chloranyl-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
MOLECULAR FORMULA: C19H24ClNO
MOLECULAR WEIGHT: 317.85296
SMILES: CC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopentyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methylbutyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CC(C)CCNC(=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-isopentyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(3-methylbutyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)ethanamide
MOLECULAR FORMULA: C17H26ClN3O3S
MOLECULAR WEIGHT: 387.92464
SMILES: CC(C)CCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3,5-dimethoxyphenyl)carbonylamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C17H25N3O3S
MOLECULAR WEIGHT: 351.4637
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: ethyl-[(3-fluorophenyl)methyl]-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium
IUPAC NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium
SYSTEMATIC NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]azanium
MOLECULAR FORMULA: C20H21FNO3+
MOLECULAR WEIGHT: 342.384043
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3)OC
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Product OPENEYE NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methoxy-chromen-2-one
CAS Name: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methoxy-1-benzopyran-2-one
IUPAC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methoxy-chromen-2-one
MOLECULAR FORMULA: C20H20FNO3
MOLECULAR WEIGHT: 341.376103
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3)OC
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(1-cyclohexenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]ethanamide
MOLECULAR FORMULA: C20H29ClN3O3S+
MOLECULAR WEIGHT: 426.98056
SMILES: C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[2-(1-cyclohexenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]ethanamide
MOLECULAR FORMULA: C20H28ClN3O3S
MOLECULAR WEIGHT: 425.97262
SMILES: C1CCC(=CC1)CCNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-chloro-N-[3-(3,4-dimethylanilino)-3-oxo-propyl]benzamide
CAS Name: 2-chloro-N-[3-(3,4-dimethylanilino)-3-oxopropyl]benzamide
IUPAC NAME: 2-chloro-N-[3-(3,4-dimethylanilino)-3-oxopropyl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C18H19ClN2O2
MOLECULAR WEIGHT: 330.80866
SMILES: CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)C
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Product OPENEYE NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3,5-dimethoxyphenyl)carbonylamino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C17H25N3O3S
MOLECULAR WEIGHT: 351.4637
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-3-(3-methylphenoxy)propanamide
CAS Name: N-(3,4-dimethylphenyl)-3-(3-methylphenoxy)propanamide
IUPAC NAME: N-(3,4-dimethylphenyl)-3-(3-methylphenoxy)propanamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-3-(3-methylphenoxy)propanamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CC1=CC(=CC=C1)OCCC(=O)NC2=CC(=C(C=C2)C)C
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Product OPENEYE NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CAS Name: 1-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-[(3,5-dimethoxybenzoyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
SYSTEMATIC NAME: 1-[(3,5-dimethoxyphenyl)carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
MOLECULAR FORMULA: C17H25N3O3S
MOLECULAR WEIGHT: 351.4637
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-3-(4-methylphenoxy)propanamide
CAS Name: N-(3,4-dimethylphenyl)-3-(4-methylphenoxy)propanamide
IUPAC NAME: N-(3,4-dimethylphenyl)-3-(4-methylphenoxy)propanamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-3-(4-methylphenoxy)propanamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CC1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)C)C
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Product OPENEYE NAME: [(1S)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15Cl2NO4
MOLECULAR WEIGHT: 392.2327
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C24H25NO6
MOLECULAR WEIGHT: 423.4584
SMILES: CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC(=O)C3=CC=C(C=C3)N4CCCC4=O)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-(2-fluorophenoxy)acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-(2-fluorophenoxy)acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-(2-fluorophenoxy)acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-(2-fluoranylphenoxy)ethanamide
MOLECULAR FORMULA: C16H16FNO2
MOLECULAR WEIGHT: 273.302143
SMILES: CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2F)C
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C20H20ClFNO2+
MOLECULAR WEIGHT: 360.829703
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C
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Product OPENEYE NAME: 6-chloro-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methyl-chromen-2-one
CAS Name: 6-chloro-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methyl-1-benzopyran-2-one
IUPAC NAME: 6-chloro-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methylchromen-2-one
SYSTEMATIC NAME: 6-chloranyl-4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-methyl-chromen-2-one
MOLECULAR FORMULA: C20H19ClFNO2
MOLECULAR WEIGHT: 359.821763
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium
MOLECULAR FORMULA: C18H21ClFN2O3S+
MOLECULAR WEIGHT: 399.887343
SMILES: C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl
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