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

Systemtic Name: ethyl 4-[[2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(4-ethoxyanilino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(p-phenetylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC

InChI

InChI=1S/C30H34N2O6S/c1-5-36-23-13-9-22(10-14-23)31-30(39)32-16-15-21-17-27(34-3)28(35-4)18-25(21)26(32)19-38-24-11-7-20(8-12-24)29(33)37-6-2/h7-14,17-18,26H,5-6,15-16,19H2,1-4H3,(H,31,39)