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

Systemtic Name: ethyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c1-3-25-18(24)13-5-7-14(8-6-13)21-19(27)22-17(23)11-26-16-9-4-12(2)10-15(16)20/h4-10H,3,11H2,1-2H3,(H2,21,22,23,27)