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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]pentanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]valeramide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-2-3-4-11(17)14-12(20)13-9-7-8(15(18)19)5-6-10(9)16/h5-7,16H,2-4H2,1H3,(H2,13,14,17,20)