propyl 4-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-3-10-26-19(25)14-4-7-16(8-5-14)22-20(28)23-18(24)12-27-17-9-6-15(21)11-13(17)2/h4-9,11H,3,10,12H2,1-2H3,(H2,22,23,24,28)