2-(4-methylphenyl)sulfanyl-N-[(4-morpholin-4-ylcarbonylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[(4-morpholin-4-ylcarbonylphenyl)methyl]pyridine-3-carboxamide Openeye Name: N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[[4-[4-morpholinyl(oxo)methyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(morpholine-4-carbonyl)benzyl]-2-(p-tolylthio)nicotinamide Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H25N3O3S/c1-18-4-10-21(11-5-18)32-24-22(3-2-12-26-24)23(29)27-17-19-6-8-20(9-7-19)25(30)28-13-15-31-16-14-28/h2-12H,13-17H2,1H3,(H,27,29)