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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-[(phenylmethyl)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(benzylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(benzylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C28H30N2O5S/c1-32-25-15-21-13-14-30(28(36)29-17-19-7-5-4-6-8-19)24(23(21)16-26(25)33-2)18-35-22-11-9-20(10-12-22)27(31)34-3/h4-12,15-16,24H,13-14,17-18H2,1-3H3,(H,29,36)