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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-[(3-methylphenyl)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(m-tolylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(3-methylanilino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-[(3-methylphenyl)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(m-tolylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC(=C4)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC(=C4)C)OC)OC

InChI

InChI=1S/C29H32N2O5S/c1-5-35-28(32)20-9-11-23(12-10-20)36-18-25-24-17-27(34-4)26(33-3)16-21(24)13-14-31(25)29(37)30-22-8-6-7-19(2)15-22/h6-12,15-17,25H,5,13-14,18H2,1-4H3,(H,30,37)