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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(phenethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(phenethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(phenethylamino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-(phenethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(phenethylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NCCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C30H34N2O5S/c1-4-36-29(33)22-10-12-24(13-11-22)37-20-26-25-19-28(35-3)27(34-2)18-23(25)15-17-32(26)30(38)31-16-14-21-8-6-5-7-9-21/h5-13,18-19,26H,4,14-17,20H2,1-3H3,(H,31,38)