N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C13H16BrN3O3S MolecularWeight: 374.25344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C13H16BrN3O3S/c1-2-3-4-5-12(18)16-13(21)15-11-7-6-9(17(19)20)8-10(11)14/h6-8H,2-5H2,1H3,(H2,15,16,18,21)