2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethyl-ethanethioamide

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethyl-ethanethioamide Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethyl-thioacetamide CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethylethanethioamide IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethylethanethioamide Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-N-phenethyl-thioacetamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC(=S)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC(=S)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O2S/c1-24-19-12-16-9-11-22-18(17(16)13-20(19)25-2)14-21(26)23-10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)