N-(4-ethanoylphenyl)-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(4-acetylphenyl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(4-acetylphenyl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-(1-isoquinolylthio)acetamide Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H16N2O2S/c1-13(22)14-6-8-16(9-7-14)21-18(23)12-24-19-17-5-3-2-4-15(17)10-11-20-19/h2-11H,12H2,1H3,(H,21,23)