1-(4-methylsulfanylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2S/c1-29-22-11-9-21(10-12-22)23(27)13-14-24(28)26-18-16-25(17-19-26)15-5-8-20-6-3-2-4-7-20/h2-12H,13-19H2,1H3/b8-5+