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

Systemtic Name: 4-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C15H9Cl2N5O6S MolecularWeight: 458.23286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9Cl2N5O6S/c16-9-3-1-7(5-11(9)21(25)26)13(23)18-15(29)20-19-14(24)8-2-4-10(17)12(6-8)22(27)28/h1-6H,(H,19,24)(H2,18,20,23,29)