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

Systemtic Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]benzoate CAS Name: 2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]benzoate Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C20H22N2O4S/c1-24-17-10-13-8-9-22(12-14(13)11-18(17)25-2)20(27)21-16-7-5-4-6-15(16)19(23)26-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,27)