2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(8-quinolyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(8-quinolinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(8-quinolyl)ethyl]nicotinamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-15-20(16(2)29-27-15)14-30-23-19(9-5-12-26-23)22(28)25-13-10-18-7-3-6-17-8-4-11-24-21(17)18/h3-9,11-12H,10,13-14H2,1-2H3,(H,25,28)