methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)OC

InChI

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