2-(2,5-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[[2-(morpholinomethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[[2-(4-morpholinylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(morpholinomethyl)benzyl]nicotinamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3CN4CCOCC4

InChI

InChI=1S/C26H29N3O2S/c1-19-9-10-20(2)24(16-19)32-26-23(8-5-11-27-26)25(30)28-17-21-6-3-4-7-22(21)18-29-12-14-31-15-13-29/h3-11,16H,12-15,17-18H2,1-2H3,(H,28,30)