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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(methylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-23-22(30)24-10-9-15-11-19(26-2)20(27-3)12-17(15)18(24)13-29-16-7-5-14(6-8-16)21(25)28-4/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,23,30)