N-[(hexanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-nitro-benzamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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