1-[4-(diphenylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]butan-1-one Formula: C39H42N4OS MolecularWeight: 614.84198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H42N4OS/c1-2-25-43-38(34-22-13-6-14-23-34)36(31-16-7-3-8-17-31)40-39(43)45-30-15-24-35(44)41-26-28-42(29-27-41)37(32-18-9-4-10-19-32)33-20-11-5-12-21-33/h3-14,16-23,37H,2,15,24-30H2,1H3