N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C4SCCS4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C4SCCS4

InChI

InChI=1S/C22H22N2O2S2/c1-15(25)24-10-9-16-5-2-3-8-19(16)20(24)14-21(26)23-18-7-4-6-17(13-18)22-27-11-12-28-22/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)