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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-2-3-4-5-6-7-14(20)17-15(23)16-12-10-11(18(21)22)8-9-13(12)19/h8-10,19H,2-7H2,1H3,(H2,16,17,20,23)