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

Systemtic Name: N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-hydroxy-4-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=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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