N-(3,5-dimethylphenyl)-2-[(2-thiomorpholin-4-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-thiomorpholin-4-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-thiomorpholino-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-thiomorpholin-4-yl-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-thiomorpholin-4-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-thiomorpholino-4-pyridyl)methylthio]nicotinamide Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCSCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCSCC4)C

InChI

InChI=1S/C24H26N4OS2/c1-17-12-18(2)14-20(13-17)27-23(29)21-4-3-6-26-24(21)31-16-19-5-7-25-22(15-19)28-8-10-30-11-9-28/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,29)