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

Systemtic Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyridin-2-ylsulfanyl-ethyl]hex-4-enamide Openeye Name: (E)-2-[2-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]-2-(2-pyridylsulfanyl)ethyl]hex-4-enamide CAS Name: (E)-2-[2-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-(2-pyridinylthio)ethyl]-4-hexenamide IUPAC Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyridin-2-ylsulfanylethyl]hex-4-enamide Traditional Name: (E)-2-[2-[[4-(piperidinomethyl)-2-pyridyl]oxy]-2-(2-pyridylthio)ethyl]hex-4-enamide Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC3=CC=CC=N3)C(=O)N

Isomeric SMILES

C/C=C/CC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C24H32N4O2S/c1-2-3-9-20(24(25)29)17-23(31-22-10-5-6-12-27-22)30-21-16-19(11-13-26-21)18-28-14-7-4-8-15-28/h2-3,5-6,10-13,16,20,23H,4,7-9,14-15,17-18H2,1H3,(H2,25,29)/b3-2+