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

Systemtic Name: 4-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butan-1-one CAS Name: 4-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]butan-1-one Formula: C34H40N4OS MolecularWeight: 552.7726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H40N4OS/c1-2-3-21-38-33(30-18-11-6-12-19-30)32(29-16-9-5-10-17-29)35-34(38)40-26-13-20-31(39)37-24-22-36(23-25-37)27-28-14-7-4-8-15-28/h4-12,14-19H,2-3,13,20-27H2,1H3