N-[(3-nitrophenyl)carbamothioyl]octanamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]octanamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]octanamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]caprylamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-5-6-10-14(19)17-15(22)16-12-8-7-9-13(11-12)18(20)21/h7-9,11H,2-6,10H2,1H3,(H2,16,17,19,22)