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

Systemtic Name: methyl 4-[[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(tert-butylamino)-sulfanylidenemethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(tert-butylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(tert-butylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)26-24(33)27-12-11-17-13-21(29-4)22(30-5)14-19(17)20(27)15-32-18-9-7-16(8-10-18)23(28)31-6/h7-10,13-14,20H,11-12,15H2,1-6H3,(H,26,33)