N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholinoethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-morpholinyl)ethylthio]-3-pyridinecarboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide Traditional Name: 2-(2-morpholinoethylthio)-N-o-veratryl-nicotinamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C2=C(N=CC=C2)SCCN3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C2=C(N=CC=C2)SCCN3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-26-18-7-3-5-16(19(18)27-2)15-23-20(25)17-6-4-8-22-21(17)29-14-11-24-9-12-28-13-10-24/h3-8H,9-15H2,1-2H3,(H,23,25)