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

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-5-chloranyl-benzoic acid Openeye Name: 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-5-chloro-benzoic acid CAS Name: 2-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-5-chlorobenzoic acid Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-5-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=C(C=C2)Cl)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=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)19-13-6-3-10(18)7-12(13)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)