2-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(2-bromo-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(2-bromo-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10BrN3O5S MolecularWeight: 424.226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O5S/c16-11-6-5-8(19(23)24)7-10(11)13(20)18-15(25)17-12-4-2-1-3-9(12)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)