3-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-bromo-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2-bromo-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(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(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

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

InChI

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