methyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromonicotinoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H12BrN3O3S MolecularWeight: 394.24308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O3S/c1-22-14(21)9-2-4-12(5-3-9)18-15(23)19-13(20)10-6-11(16)8-17-7-10/h2-8H,1H3,(H2,18,19,20,23)