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

Systemtic Name: 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10BrClN2O3S MolecularWeight: 413.6735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C15H10BrClN2O3S/c16-9-3-6-12(17)11(7-9)13(20)19-15(23)18-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)