methyl 2-[2-[(3-bromanylpyridin-2-yl)carbamothioylamino]ethyl]benzoate

Systemtic Name: methyl 2-[2-[(3-bromanylpyridin-2-yl)carbamothioylamino]ethyl]benzoate Openeye Name: methyl 2-[2-[(3-bromo-2-pyridyl)carbamothioylamino]ethyl]benzoate CAS Name: 2-[2-[[[(3-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(3-bromopyridin-2-yl)carbamothioylamino]ethyl]benzoate Traditional Name: 2-[2-[(3-bromo-2-pyridyl)thiocarbamoylamino]ethyl]benzoic acid methyl ester Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CCNC(=S)NC2=C(C=CC=N2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1CCNC(=S)NC2=C(C=CC=N2)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-22-15(21)12-6-3-2-5-11(12)8-10-19-16(23)20-14-13(17)7-4-9-18-14/h2-7,9H,8,10H2,1H3,(H2,18,19,20,23)