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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(methylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(methylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[methylamino(sulfanylidene)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-(methylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(methylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-5-29-22(26)15-6-8-17(9-7-15)30-14-19-18-13-21(28-4)20(27-3)12-16(18)10-11-25(19)23(31)24-2/h6-9,12-13,19H,5,10-11,14H2,1-4H3,(H,24,31)