N-(4-chlorophenyl)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]acetamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CSCC(=O)NC3=CC=C(C=C3)Cl)OCC

InChI

InChI=1S/C23H27ClN2O4S/c1-3-29-20-11-16-9-10-26(13-17(16)12-21(20)30-4-2)23(28)15-31-14-22(27)25-19-7-5-18(24)6-8-19/h5-8,11-12H,3-4,9-10,13-15H2,1-2H3,(H,25,27)