N-[(2-methyl-5-nitro-phenyl)carbamothioyl]octanamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C16H23N3O3S MolecularWeight: 337.43712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O3S/c1-3-4-5-6-7-8-15(20)18-16(23)17-14-11-13(19(21)22)10-9-12(14)2/h9-11H,3-8H2,1-2H3,(H2,17,18,20,23)