3-phenyl-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanethioamide

Systemtic Name: 3-phenyl-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanethioamide Openeye Name: 3-phenyl-N-[(Z)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]propanethioamide CAS Name: 3-phenyl-N-[(Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanethioamide IUPAC Name: 3-phenyl-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]propanethioamide Traditional Name: 3-phenyl-N-[(Z)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]thiopropionamide Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=S)CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=S)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3OS/c29-24(12-11-21-9-3-1-4-10-21)26-14-5-8-18-28-23-19-22(13-15-25-23)20-27-16-6-2-7-17-27/h1,3-5,8-10,13,15,19H,2,6-7,11-12,14,16-18,20H2,(H,26,29)/b8-5-