[4-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone

Systemtic Name: [4-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone Openeye Name: [4-[1-(2-ethylsulfanylpyridine-3-carbonyl)-4-piperidyl]-1-piperidyl]-(2-phenylcyclopropyl)methanone CAS Name: [4-[1-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-1-piperidinyl]-(2-phenylcyclopropyl)methanone IUPAC Name: [4-[1-(2-ethylsulfanylpyridine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone Traditional Name: [4-[1-[2-(ethylthio)nicotinoyl]-4-piperidyl]piperidino]-(2-phenylcyclopropyl)methanone Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C28H35N3O2S/c1-2-34-26-23(9-6-14-29-26)27(32)30-15-10-20(11-16-30)21-12-17-31(18-13-21)28(33)25-19-24(25)22-7-4-3-5-8-22/h3-9,14,20-21,24-25H,2,10-13,15-19H2,1H3