5-bromanyl-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10BrN3O5S MolecularWeight: 424.226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

InChI

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