N-(2-methylsulfanylethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-N-(2-methylsulfanylethyl)oxazole-4-carboxamide CAS Name: N-[2-(methylthio)ethyl]-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-[(E)-cinnamyl]piperazino]methyl]-N-[2-(methylthio)ethyl]oxazole-4-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=COC(=N1)CN2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CSCCNC(=O)C1=COC(=N1)CN2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-28-15-9-22-21(26)19-17-27-20(23-19)16-25-13-11-24(12-14-25)10-5-8-18-6-3-2-4-7-18/h2-8,17H,9-16H2,1H3,(H,22,26)/b8-5+