N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C23H21ClN2O2S/c1-26-21(19-7-4-14-29-19)20(17-5-2-3-6-18(17)23(26)28)22(27)25-13-12-15-8-10-16(24)11-9-15/h2-11,14,20-21H,12-13H2,1H3,(H,25,27)