5-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chloro-benzoic acid CAS Name: 5-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 5-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-2-chloro-benzoic acid Formula: C16H12BrClN2O4S MolecularWeight: 443.69948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Br

InChI

InChI=1S/C16H12BrClN2O4S/c17-9-1-4-11(5-2-9)24-8-14(21)20-16(25)19-10-3-6-13(18)12(7-10)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)