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

Systemtic Name: 4-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Openeye Name: 4-(2-hydroxyethylsulfanyl)-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]butanamide CAS Name: 4-(2-hydroxyethylthio)-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide IUPAC Name: 4-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Traditional Name: 4-(2-hydroxyethylthio)-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]butyramide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c25-13-16-28-15-6-7-20(26)22-9-2-5-14-27-21-17-19(8-10-23-21)18-24-11-3-1-4-12-24/h2,5,8,10,17,25H,1,3-4,6-7,9,11-16,18H2,(H,22,26)/b5-2+