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

Systemtic Name: 5-chloranyl-2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H14Cl2N2O4S/c1-9-6-10(18)3-5-14(9)25-8-15(22)21-17(26)20-13-4-2-11(19)7-12(13)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)