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

Systemtic Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-3-sulfanyl-propanamide Openeye Name: N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]-3-sulfanyl-propanamide CAS Name: 3-mercapto-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanamide IUPAC Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-3-sulfanylpropanamide Traditional Name: 3-mercapto-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]propionamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c22-17(7-13-24)19-8-2-5-12-23-18-14-16(6-9-20-18)15-21-10-3-1-4-11-21/h2,5-6,9,14,24H,1,3-4,7-8,10-13,15H2,(H,19,22)/b5-2+