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

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

CC(CSCC(=O)NCC=CCOC1=NC=CC(=C1)CN2CCCCC2)O

Isomeric SMILES

CC(CSCC(=O)NC/C=C/COC1=NC=CC(=C1)CN2CCCCC2)O

InChI

InChI=1S/C20H31N3O3S/c1-17(24)15-27-16-19(25)21-8-3-6-12-26-20-13-18(7-9-22-20)14-23-10-4-2-5-11-23/h3,6-7,9,13,17,24H,2,4-5,8,10-12,14-16H2,1H3,(H,21,25)/b6-3+