N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(methylthio)nicotinamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3O4S/c1-4-27-18-14-17(24-9-11-26-12-10-24)19(28-5-2)13-16(18)23-20(25)15-7-6-8-22-21(15)29-3/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,23,25)