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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C15H20BrN3O3S MolecularWeight: 402.3066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O3S/c1-2-3-4-5-6-7-14(20)18-15(23)17-13-9-8-11(19(21)22)10-12(13)16/h8-10H,2-7H2,1H3,(H2,17,18,20,23)