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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)C

InChI

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