N-(8-nitroisoquinolin-6-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(8-nitroisoquinolin-6-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-[(8-nitro-6-isoquinolyl)sulfanyl]-N-phenyl-propanamide CAS Name: N-[(8-nitro-6-isoquinolinyl)thio]-N-phenylpropanamide IUPAC Name: N-(8-nitroisoquinolin-6-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-[(8-nitro-6-isoquinolyl)thio]-N-phenyl-propionamide Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)SC2=CC(=C3C=NC=CC3=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)SC2=CC(=C3C=NC=CC3=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c1-2-18(22)20(14-6-4-3-5-7-14)25-15-10-13-8-9-19-12-16(13)17(11-15)21(23)24/h3-12H,2H2,1H3