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

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-2-[[3-(trifluoromethyl)phenyl]thio]nicotinamide Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3N3O2S/c1-14(2)21(30)28-11-8-16(9-12-28)27-19(29)18-7-4-10-26-20(18)31-17-6-3-5-15(13-17)22(23,24)25/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3,(H,27,29)