ethyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C22H25BrN2O4S/c1-5-28-21(27)15-6-8-16(9-7-15)24-22(30)25-20(26)12-29-19-10-14(4)18(23)11-17(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H2,24,25,26,30)