(E)-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-(sulfanylmethyl)hex-4-enamide

Systemtic Name: (E)-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-(sulfanylmethyl)hex-4-enamide Openeye Name: (E)-6-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]-2-(sulfanylmethyl)hex-4-enamide CAS Name: (E)-2-(mercaptomethyl)-6-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-4-hexenamide IUPAC Name: (E)-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-(sulfanylmethyl)hex-4-enamide Traditional Name: (E)-2-(mercaptomethyl)-6-[[4-(piperidinomethyl)-2-pyridyl]oxy]hex-4-enamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCC(CS)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CC(CS)C(=O)N

InChI

InChI=1S/C18H27N3O2S/c19-18(22)16(14-24)6-2-5-11-23-17-12-15(7-8-20-17)13-21-9-3-1-4-10-21/h2,5,7-8,12,16,24H,1,3-4,6,9-11,13-14H2,(H2,19,22)/b5-2+