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

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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