2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(3-ethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 2-[(3-ethyl-2-quinolinyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3-ethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(3-ethyl-2-quinolyl)thio]ethanone Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2OS/c1-2-21-17-22-10-6-7-11-23(22)26-25(21)29-18-24(28)27-14-12-20(13-15-27)16-19-8-4-3-5-9-19/h3-11,17,20H,2,12-16,18H2,1H3