ethyl 4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S/c1-2-24-17(23)12-3-7-14(8-4-12)20-18(26)21-16(22)11-25-15-9-5-13(19)6-10-15/h3-10H,2,11H2,1H3,(H2,20,21,22,26)