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

Systemtic Name: methyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H16Br2N2O4S MolecularWeight: 516.20364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br)Br

InChI

InChI=1S/C18H16Br2N2O4S/c1-10-7-12(19)8-14(20)16(10)26-9-15(23)22-18(27)21-13-5-3-11(4-6-13)17(24)25-2/h3-8H,9H2,1-2H3,(H2,21,22,23,27)