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

Systemtic Name: 3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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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(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-12(2)16-8-7-13(3)9-17(16)26-11-18(23)22-20(27)21-15-6-4-5-14(10-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)/p-1