N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[(4-chlorophenyl)thio]ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[(4-chlorophenyl)thio]ethyl]acetamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15(25)24-12-10-16-4-2-3-5-19(16)20(24)14-21(26)23-11-13-27-18-8-6-17(22)7-9-18/h2-10,12,20H,11,13-14H2,1H3,(H,23,26)