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

Systemtic Name: 5-chloranyl-2-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4S/c1-10-2-5-12(6-3-10)24-9-15(21)20-17(25)19-14-7-4-11(18)8-13(14)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)