N-isoquinolin-3-yl-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-isoquinolin-3-yl-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3-isoquinolyl)-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-isoquinolinyl)-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-isoquinolin-3-yl-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3-isoquinolyl)-2-(4-quinolylmethylthio)nicotinamide Formula: C25H18N4OS MolecularWeight: 422.50162

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=NC5=CC=CC=C45

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H18N4OS/c30-24(29-23-14-17-6-1-2-7-18(17)15-28-23)21-9-5-12-27-25(21)31-16-19-11-13-26-22-10-4-3-8-20(19)22/h1-15H,16H2,(H,28,29,30)