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

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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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=C2C(=O)O)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O4S/c1-10(2)13-5-4-11(3)6-16(13)28-9-17(25)23-20(29)24-18-14(19(26)27)7-12(21)8-15(18)22/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,23,24,25,29)