N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]hexanamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]hexanamide Traditional Name: N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]hexanamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-2-3-4-9-12(19)15-14(23)17-16-13(20)10-7-5-6-8-11(10)18(21)22/h5-8H,2-4,9H2,1H3,(H,16,20)(H2,15,17,19,23)