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

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

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

Isomeric SMILES

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

InChI

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