N-(4-nitrophenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-nitrophenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(4-nitrophenyl)propanamide CAS Name: N-(4-nitrophenyl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-(benzylthio)-N-(4-nitrophenyl)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-12(22-11-13-5-3-2-4-6-13)16(19)17-14-7-9-15(10-8-14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)