3-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(5-bromonicotinoyl)thiocarbamoylamino]benzoic acid Formula: C14H10BrN3O3S MolecularWeight: 380.2165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)O

InChI

InChI=1S/C14H10BrN3O3S/c15-10-4-9(6-16-7-10)12(19)18-14(22)17-11-3-1-2-8(5-11)13(20)21/h1-7H,(H,20,21)(H2,17,18,19,22)