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

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]caprylamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-2-3-4-5-6-11-14(21)17-16(25)19-18-15(22)12-9-7-8-10-13(12)20(23)24/h7-10H,2-6,11H2,1H3,(H,18,22)(H2,17,19,21,25)