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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C15H20FN3O3S MolecularWeight: 341.401003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FN3O3S/c1-2-3-4-5-6-7-14(20)18-15(23)17-13-10-11(19(21)22)8-9-12(13)16/h8-10H,2-7H2,1H3,(H2,17,18,20,23)