5-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-chloro-5-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-chloro-5-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H11Cl3N2O4S MolecularWeight: 433.69354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)O)Cl

InChI

InChI=1S/C16H11Cl3N2O4S/c17-8-1-4-13(12(19)5-8)25-7-14(22)21-16(26)20-9-2-3-11(18)10(6-9)15(23)24/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)