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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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