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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[1-(3-furoyl)-4-piperidyl]nicotinamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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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=COC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-16-5-6-20(14-17(16)2)31-23-21(4-3-10-25-23)22(28)26-19-7-11-27(12-8-19)24(29)18-9-13-30-15-18/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3,(H,26,28)