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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]propionamide Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O4S/c1-2-9(15)12-10(18)11-7-5-6(13(16)17)3-4-8(7)14/h3-5,14H,2H2,1H3,(H2,11,12,15,18)