propyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C20H20Br2N2O4S MolecularWeight: 544.2568

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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=C2C)Br)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C20H20Br2N2O4S/c1-3-8-27-19(26)13-4-6-15(7-5-13)23-20(29)24-17(25)11-28-18-12(2)9-14(21)10-16(18)22/h4-7,9-10H,3,8,11H2,1-2H3,(H2,23,24,25,29)