N'-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-N-(pyridin-2-ylmethyl)butanediamide

Systemtic Name: N'-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-N-(pyridin-2-ylmethyl)butanediamide Openeye Name: N'-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-N-(2-pyridylmethyl)butanediamide CAS Name: N'-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-N-(2-pyridinylmethyl)butanediamide IUPAC Name: N'-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-N-(pyridin-2-ylmethyl)butanediamide Traditional Name: N'-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-N-(2-pyridylmethyl)succinamide Formula: C22H17BrN4O4S MolecularWeight: 513.36378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCC(=O)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCC(=O)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H17BrN4O4S/c23-14-4-5-18-13(9-14)10-16(21(30)31-18)17-12-32-22(26-17)27-20(29)7-6-19(28)25-11-15-3-1-2-8-24-15/h1-5,8-10,12H,6-7,11H2,(H,25,28)(H,26,27,29)