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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2Cl

InChI

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