1-[4-phenyl-1-(2-propylsulfanylpyridin-3-yl)carbonyl-piperidin-4-yl]ethanone

Systemtic Name: 1-[4-phenyl-1-(2-propylsulfanylpyridin-3-yl)carbonyl-piperidin-4-yl]ethanone Openeye Name: 1-[4-phenyl-1-(2-propylsulfanylpyridine-3-carbonyl)-4-piperidyl]ethanone CAS Name: 1-[1-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-4-phenyl-4-piperidinyl]ethanone IUPAC Name: 1-[4-phenyl-1-(2-propylsulfanylpyridine-3-carbonyl)piperidin-4-yl]ethanone Traditional Name: 1-[4-phenyl-1-[2-(propylthio)nicotinoyl]-4-piperidyl]ethanone Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H26N2O2S/c1-3-16-27-20-19(10-7-13-23-20)21(26)24-14-11-22(12-15-24,17(2)25)18-8-5-4-6-9-18/h4-10,13H,3,11-12,14-16H2,1-2H3