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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-4-[(1,4,5-triphenylimidazol-2-yl)thio]butan-1-one Formula: C36H36N4O2S MolecularWeight: 588.76164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H36N4O2S/c1-42-32-21-12-11-20-31(32)38-23-25-39(26-24-38)33(41)22-13-27-43-36-37-34(28-14-5-2-6-15-28)35(29-16-7-3-8-17-29)40(36)30-18-9-4-10-19-30/h2-12,14-21H,13,22-27H2,1H3