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

Systemtic Name: ethyl 4-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromopyridine-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromonicotinoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H14BrN3O3S MolecularWeight: 408.26966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S/c1-2-23-15(22)10-3-5-13(6-4-10)19-16(24)20-14(21)11-7-12(17)9-18-8-11/h3-9H,2H2,1H3,(H2,19,20,21,24)