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

Systemtic Name: 2-methyl-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]-2-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=CC=CC(=C2C)C(=O)O

Isomeric SMILES

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

InChI

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