Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15BrFNO4
MOLECULAR WEIGHT: 360.175603
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 1-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H25N3OS
MOLECULAR WEIGHT: 355.497
SMILES: C[C@@H]1C[C@@H](CN(C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 1-(3-chloro-4-fluoro-phenyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-(3-chloro-4-fluorophenyl)-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C15H14ClFN2S
MOLECULAR WEIGHT: 308.801463
SMILES: CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C16H17ClN2S
MOLECULAR WEIGHT: 304.83758
SMILES: CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)C)Cl
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Product OPENEYE NAME: [2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO6
MOLECULAR WEIGHT: 423.4584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(N(C(=C3)C)C[C@@H]4CCCO4)C
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Product OPENEYE NAME: [(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15BrFNO4
MOLECULAR WEIGHT: 360.175603
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H25N3OS
MOLECULAR WEIGHT: 355.497
SMILES: C[C@H]1C[C@@H](CN(C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO4
MOLECULAR WEIGHT: 311.76072
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H22Cl2N3O2+
MOLECULAR WEIGHT: 395.30288
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[(2,4-dichlorophenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetamide
CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
IUPAC NAME: N-[(2,4-dichlorophenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methyl]-2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide
MOLECULAR FORMULA: C19H21Cl2N3O2
MOLECULAR WEIGHT: 394.29494
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H25N3OS
MOLECULAR WEIGHT: 355.497
SMILES: C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C21H28N3O4+
MOLECULAR WEIGHT: 386.46472
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetamide
CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
IUPAC NAME: N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide
MOLECULAR FORMULA: C21H27N3O4
MOLECULAR WEIGHT: 385.45678
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NCC2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: [(1R)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO4
MOLECULAR WEIGHT: 311.76072
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H25NO6
MOLECULAR WEIGHT: 423.4584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(N(C(=C3)C)C[C@H]4CCCO4)C
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Product OPENEYE NAME: N-(2-chloro-4-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-chloro-4-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-chloro-4-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18ClN3OS
MOLECULAR WEIGHT: 383.89442
SMILES: CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methylphenyl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea
IUPAC NAME: 1-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
MOLECULAR FORMULA: C16H26N3OS+
MOLECULAR WEIGHT: 308.46214
SMILES: CC1=CC=C(C=C1)CNC(=S)NCCC[NH+]2CCOCC2
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Product OPENEYE NAME: 1-(3-morpholinopropyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methylphenyl)methyl]-3-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C16H25N3OS
MOLECULAR WEIGHT: 307.4542
SMILES: CC1=CC=C(C=C1)CNC(=S)NCCCN2CCOCC2
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Product OPENEYE NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H30N3O2+
MOLECULAR WEIGHT: 344.4711
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide
MOLECULAR FORMULA: C20H29N3O2
MOLECULAR WEIGHT: 343.46316
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H17NO7S
MOLECULAR WEIGHT: 379.38438
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO4
MOLECULAR WEIGHT: 311.76072
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C17H20N2OS
MOLECULAR WEIGHT: 300.4185
SMILES: CC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC
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