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

Systemtic Name: ethyl 4-[[2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[ethylamino(sulfanylidene)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(ethylcarbamothioyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(ethylthiocarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OCC)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OCC)OC)OC

InChI

InChI=1S/C24H30N2O5S/c1-5-25-24(32)26-12-11-17-13-21(28-3)22(29-4)14-19(17)20(26)15-31-18-9-7-16(8-10-18)23(27)30-6-2/h7-10,13-14,20H,5-6,11-12,15H2,1-4H3,(H,25,32)