4-nitro-N-[[(4-nitrophenyl)carbonylcarbamothioylamino]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[(4-nitrophenyl)carbonylcarbamothioylamino]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[(4-nitrobenzoyl)carbamothioylamino]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[(4-nitrobenzoyl)carbamothioylamino]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[(4-nitrobenzoyl)thiocarbamoylamino]thiocarbamoyl]benzamide Formula: C16H12N6O6S2 MolecularWeight: 448.43308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O6S2/c23-13(9-1-5-11(6-2-9)21(25)26)17-15(29)19-20-16(30)18-14(24)10-3-7-12(8-4-10)22(27)28/h1-8H,(H2,17,19,23,29)(H2,18,20,24,30)