N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]pentanamide CAS Name: N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]pentanamide Traditional Name: N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]valeramide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-2-3-4-11(18)14-13(22)16-15-12(19)9-5-7-10(8-6-9)17(20)21/h5-8H,2-4H2,1H3,(H,15,19)(H2,14,16,18,22)