5-bromanyl-2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9BrN4O7S MolecularWeight: 469.22356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN4O7S/c16-8-1-2-12(11(5-8)14(22)23)17-15(28)18-13(21)7-3-9(19(24)25)6-10(4-7)20(26)27/h1-6H,(H,22,23)(H2,17,18,21,28)