dimethyl 2-[2-(4-chlorophenyl)ethylcarbamothioyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-chlorophenyl)ethylcarbamothioyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate Openeye Name: dimethyl 2-[2-(4-chlorophenyl)ethylcarbamothioyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate CAS Name: 2-[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-chlorophenyl)ethylcarbamothioyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoyl]-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylic acid dimethyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(CN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)C=C1C(=O)OC

InChI

InChI=1S/C22H23ClN2O4S/c1-28-20(26)18-11-15-8-10-25(13-16(15)12-19(18)21(27)29-2)22(30)24-9-7-14-3-5-17(23)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,30)