2-chloranyl-4-[2-(4-methoxyphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[2-(4-methoxyphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[2-(4-methoxyphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-(4-methoxyphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[[2-(4-methoxyphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H15ClN2O5S/c1-24-11-3-5-12(6-4-11)25-9-15(21)20-17(26)19-10-2-7-13(16(22)23)14(18)8-10/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,26)