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

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-10-8-12(6-7-14(10)19)25-9-16(22)21-18(26)20-15-5-3-4-13(11(15)2)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)