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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(2-methoxyethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-(2-methoxyethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(2-methoxyethylamino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-(2-methoxyethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(2-methoxyethylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OC)OC)OC

Isomeric SMILES

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OC)OC)OC

InChI

InChI=1S/C24H30N2O6S/c1-28-12-10-25-24(33)26-11-9-17-13-21(29-2)22(30-3)14-19(17)20(26)15-32-18-7-5-16(6-8-18)23(27)31-4/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,33)