1-(5-methylthiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-methylthiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-(5-methyl-2-thiophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-methylthiophen-2-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-18-9-11-21(27-18)20(25)10-12-22(26)24-16-14-23(15-17-24)13-5-8-19-6-3-2-4-7-19/h2-9,11H,10,12-17H2,1H3/b8-5+