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

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-[[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=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)Br

InChI

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