5-chloranyl-2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-11(2)14-6-4-12(3)8-17(14)27-10-18(24)23-20(28)22-16-7-5-13(21)9-15(16)19(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,22,23,24,28)