1-[4-(phenylmethyl)piperazin-1-yl]-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-4-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[(1,4,5-triphenylimidazol-2-yl)thio]butan-1-one Formula: C36H36N4OS MolecularWeight: 572.76224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H36N4OS/c41-33(39-25-23-38(24-26-39)28-29-14-5-1-6-15-29)22-13-27-42-36-37-34(30-16-7-2-8-17-30)35(31-18-9-3-10-19-31)40(36)32-20-11-4-12-21-32/h1-12,14-21H,13,22-28H2