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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-2-3-4-5-12(18)15-13(21)14-10-8-9(16(19)20)6-7-11(10)17/h6-8,17H,2-5H2,1H3,(H2,14,15,18,21)