dimethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-25-18(23)14-7-8-16(19(24)26-2)17(11-14)21-20(27)22-10-9-13-5-3-4-6-15(13)12-22/h3-8,11H,9-10,12H2,1-2H3,(H,21,27)