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

Systemtic Name: ethyl 4-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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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)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-3-13-5-10-17(16(21)11-13)27-12-18(24)23-20(28)22-15-8-6-14(7-9-15)19(25)26-4-2/h5-11H,3-4,12H2,1-2H3,(H2,22,23,24,28)