N-[(3-nitrophenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]pentanamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]pentanamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]pentanamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]valeramide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-2-3-7-11(16)14-12(19)13-9-5-4-6-10(8-9)15(17)18/h4-6,8H,2-3,7H2,1H3,(H2,13,14,16,19)