3-[[(Z)-(5-bromanyl-3-nitro-2-oxidanidyl-phenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(Z)-(5-bromanyl-3-nitro-2-oxidanidyl-phenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(Z)-(5-bromo-3-nitro-2-oxido-phenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2Z)-2-[(5-bromo-3-nitro-2-oxidophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(Z)-(5-bromo-3-nitro-2-oxidophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(Z)-(5-bromo-3-nitro-2-oxido-benzylidene)amino]thiocarbamoylamino]benzoate Formula: C15H9BrN4O5S-2 MolecularWeight: 437.22476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)N/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)C(=O)[O-]

InChI

InChI=1S/C15H11BrN4O5S/c16-10-4-9(13(21)12(6-10)20(24)25)7-17-19-15(26)18-11-3-1-2-8(5-11)14(22)23/h1-7,21H,(H,22,23)(H2,18,19,26)/p-2/b17-7-