5-bromanyl-2-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)sulfonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)sulfonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[(4-chloro-3-nitro-phenyl)sulfonylamino]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(4-chloro-3-nitrophenyl)sulfonylhydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[(4-chloro-3-nitrophenyl)sulfonylamino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[(4-chloro-3-nitro-phenyl)sulfonylamino]thiocarbamoyl]benzamide Formula: C14H9BrCl2N4O5S2 MolecularWeight: 528.18506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9BrCl2N4O5S2/c15-7-1-3-10(16)9(5-7)13(22)18-14(27)19-20-28(25,26)8-2-4-11(17)12(6-8)21(23)24/h1-6,20H,(H2,18,19,22,27)