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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

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