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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-4-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=C(C=CC(=C2)C(=O)O)Cl)Br

Isomeric SMILES

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

InChI

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