N-(3,5-dimethylphenyl)-2-[[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(4-hydroxy-1-piperidyl)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(4-hydroxy-1-piperidinyl)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(4-hydroxypiperidin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(4-hydroxypiperidino)-4-pyridyl]methylthio]nicotinamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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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)N4CCC(CC4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCC(CC4)O)C

InChI

InChI=1S/C25H28N4O2S/c1-17-12-18(2)14-20(13-17)28-24(31)22-4-3-8-27-25(22)32-16-19-5-9-26-23(15-19)29-10-6-21(30)7-11-29/h3-5,8-9,12-15,21,30H,6-7,10-11,16H2,1-2H3,(H,28,31)