5-bromanyl-2-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]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)Br)C(=O)O)Cl

Isomeric SMILES

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

InChI

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