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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-2-3-10(16)13-11(19)12-8-6-7(14(17)18)4-5-9(8)15/h4-6,15H,2-3H2,1H3,(H2,12,13,16,19)