2-[2-(methylamino)ethylsulfanylmethyl]-4-piperidin-1-yl-1-pyridin-3-yl-butane-1,4-dione

Systemtic Name: 2-[2-(methylamino)ethylsulfanylmethyl]-4-piperidin-1-yl-1-pyridin-3-yl-butane-1,4-dione Openeye Name: 2-[2-(methylamino)ethylsulfanylmethyl]-4-(1-piperidyl)-1-(3-pyridyl)butane-1,4-dione CAS Name: 2-[[2-(methylamino)ethylthio]methyl]-4-(1-piperidinyl)-1-(3-pyridinyl)butane-1,4-dione IUPAC Name: 2-[2-(methylamino)ethylsulfanylmethyl]-4-piperidin-1-yl-1-pyridin-3-ylbutane-1,4-dione Traditional Name: 2-[[2-(methylamino)ethylthio]methyl]-4-piperidino-1-(3-pyridyl)butane-1,4-dione Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSCC(CC(=O)N1CCCCC1)C(=O)C2=CN=CC=C2

Isomeric SMILES

CNCCSCC(CC(=O)N1CCCCC1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-19-8-11-24-14-16(18(23)15-6-5-7-20-13-15)12-17(22)21-9-3-2-4-10-21/h5-7,13,16,19H,2-4,8-12,14H2,1H3