2-(3,4-dimethylphenyl)sulfanyl-N-[1-(phenylcarbonyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(phenylcarbonyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzoyl-4-piperidyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(1-benzoyl-4-piperidinyl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1-benzoylpiperidin-4-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1-benzoyl-4-piperidyl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O2S/c1-18-10-11-22(17-19(18)2)32-25-23(9-6-14-27-25)24(30)28-21-12-15-29(16-13-21)26(31)20-7-4-3-5-8-20/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,28,30)