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

Systemtic Name: 4-chloranyl-3-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O4S/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)