4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(propylamino)ethyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide Traditional Name: N-[2-keto-2-(propylamino)ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-3-10-20-18(23)12-21-19(24)14-6-9-17(16(11-14)22(25)26)27-15-7-4-13(2)5-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,20,23)(H,21,24)