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

Systemtic Name: methyl 4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-23-16(22)11-2-6-13(7-3-11)19-17(25)20-15(21)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H2,19,20,21,25)