4-methyl-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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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=CC(=C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-12(2)16-8-5-13(3)9-18(16)27-11-19(24)23-21(28)22-17-10-15(20(25)26)7-6-14(17)4/h5-10,12H,11H2,1-4H3,(H,25,26)(H2,22,23,24,28)