N-isoquinolin-3-yl-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-isoquinolin-3-yl-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-hydroxyacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(3-isoquinolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[(2-hydroxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-N-(3-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-hydroxyacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-isoquinolin-3-ylpyridine-3-carboxamide Traditional Name: 2-[[2-(glycoloylamino)-4-pyridyl]methylthio]-N-(3-isoquinolyl)nicotinamide Formula: C23H19N5O3S MolecularWeight: 445.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC(=NC=C4)NC(=O)CO

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC(=NC=C4)NC(=O)CO

InChI

InChI=1S/C23H19N5O3S/c29-13-21(30)27-19-10-15(7-9-24-19)14-32-23-18(6-3-8-25-23)22(31)28-20-11-16-4-1-2-5-17(16)12-26-20/h1-12,29H,13-14H2,(H,24,27,30)(H,26,28,31)