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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H9ClN6O8S MolecularWeight: 468.78536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN6O8S/c16-11-2-1-7(5-12(11)22(29)30)14(24)18-19-15(31)17-13(23)8-3-9(20(25)26)6-10(4-8)21(27)28/h1-6H,(H,18,24)(H2,17,19,23,31)