3,5-dinitro-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H16N6O7S MolecularWeight: 460.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O7S/c1-2-15(25)19-12-5-3-10(4-6-12)17(27)21-22-18(32)20-16(26)11-7-13(23(28)29)9-14(8-11)24(30)31/h3-9H,2H2,1H3,(H,19,25)(H,21,27)(H2,20,22,26,32)