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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(2-methoxyethylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-5-32-24(28)17-6-8-19(9-7-17)33-16-21-20-15-23(31-4)22(30-3)14-18(20)10-12-27(21)25(34)26-11-13-29-2/h6-9,14-15,21H,5,10-13,16H2,1-4H3,(H,26,34)