ethyl 4-[[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-ethyl-6-methylphenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC)C

InChI

InChI=1S/C31H36N2O5S/c1-6-21-10-8-9-20(3)29(21)32-31(39)33-16-15-23-17-27(35-4)28(36-5)18-25(23)26(33)19-38-24-13-11-22(12-14-24)30(34)37-7-2/h8-14,17-18,26H,6-7,15-16,19H2,1-5H3,(H,32,39)