3-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanamide

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanamide Openeye Name: 3-(2-hydroxyethylsulfanyl)-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]propanamide CAS Name: 3-(2-hydroxyethylthio)-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanamide IUPAC Name: 3-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanamide Traditional Name: 3-(2-hydroxyethylthio)-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CCSCCO

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CCSCCO

InChI

InChI=1S/C20H31N3O3S/c24-12-15-27-14-7-19(25)21-8-2-5-13-26-20-16-18(6-9-22-20)17-23-10-3-1-4-11-23/h2,5-6,9,16,24H,1,3-4,7-8,10-15,17H2,(H,21,25)/b5-2+