N-[(hexanoylamino)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H17N5O6S MolecularWeight: 383.37968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O6S/c1-2-3-4-5-12(20)16-17-14(26)15-13(21)9-6-10(18(22)23)8-11(7-9)19(24)25/h6-8H,2-5H2,1H3,(H,16,20)(H2,15,17,21,26)