1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one

Systemtic Name: 1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one Openeye Name: 1-(4-cinnamylpiperazin-1-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one CAS Name: 1-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-5-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-pentanone IUPAC Name: 1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 1-(4-cinnamylpiperazino)-5-[(1,4,5-triphenylimidazol-2-yl)thio]pentan-1-one Formula: C39H40N4OS MolecularWeight: 612.8261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H40N4OS/c44-36(42-29-27-41(28-30-42)26-15-18-32-16-5-1-6-17-32)25-13-14-31-45-39-40-37(33-19-7-2-8-20-33)38(34-21-9-3-10-22-34)43(39)35-23-11-4-12-24-35/h1-12,15-24H,13-14,25-31H2