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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(2-methylpropanoyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(1-isobutyryl-4-piperidyl)nicotinamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-15(2)23(28)26-12-9-18(10-13-26)25-21(27)20-6-5-11-24-22(20)29-19-8-7-16(3)17(4)14-19/h5-8,11,14-15,18H,9-10,12-13H2,1-4H3,(H,25,27)