3-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O4S/c17-11-4-6-13(7-5-11)23-9-14(20)19-16(24)18-12-3-1-2-10(8-12)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)