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

Systemtic Name: 2-(3-oxidanylpropylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]ethanamide Openeye Name: 2-(3-hydroxypropylsulfanyl)-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]acetamide CAS Name: 2-(3-hydroxypropylthio)-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide IUPAC Name: 2-(3-hydroxypropylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide Traditional Name: 2-(3-hydroxypropylthio)-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]acetamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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