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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-piperidin-1-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(1-piperidyl)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(1-piperidinyl)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-piperidin-1-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-piperidino-4-pyridyl)methylthio]nicotinamide Formula: C25H28N4OS MolecularWeight: 432.58102

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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)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCCCC4)C

InChI

InChI=1S/C25H28N4OS/c1-18-13-19(2)15-21(14-18)28-24(30)22-7-6-9-27-25(22)31-17-20-8-10-26-23(16-20)29-11-4-3-5-12-29/h6-10,13-16H,3-5,11-12,17H2,1-2H3,(H,28,30)