ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(1-methyl-4-piperidyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)ethyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Traditional Name: 4-[[homoveratryl-(1-methyl-4-piperidyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

InChI

InChI=1S/C26H35N3O4S/c1-5-33-25(30)20-7-9-21(10-8-20)27-26(34)29(22-13-15-28(2)16-14-22)17-12-19-6-11-23(31-3)24(18-19)32-4/h6-11,18,22H,5,12-17H2,1-4H3,(H,27,34)