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

Systemtic Name: 4-(2-oxidanylpropylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Openeye Name: 4-(2-hydroxypropylsulfanyl)-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]butanamide CAS Name: 4-(2-hydroxypropylthio)-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide IUPAC Name: 4-(2-hydroxypropylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]butanamide Traditional Name: 4-(2-hydroxypropylthio)-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]butyramide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-19(26)18-29-15-7-8-21(27)23-10-3-6-14-28-22-16-20(9-11-24-22)17-25-12-4-2-5-13-25/h3,6,9,11,16,19,26H,2,4-5,7-8,10,12-15,17-18H2,1H3,(H,23,27)/b6-3+