2,4-bis(chloranyl)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2,4-dichloro-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]benzamide Formula: C15H9Cl3N4O4S MolecularWeight: 447.68036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9Cl3N4O4S/c16-8-2-3-9(11(18)6-8)14(24)19-15(27)21-20-13(23)7-1-4-10(17)12(5-7)22(25)26/h1-6H,(H,20,23)(H2,19,21,24,27)