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

Systemtic Name: 5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentan-1-one CAS Name: 5-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-5-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 1-(4-benzylpiperazino)-5-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]pentan-1-one Formula: C35H42N4OS MolecularWeight: 566.79918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H42N4OS/c1-2-3-22-39-34(31-19-11-6-12-20-31)33(30-17-9-5-10-18-30)36-35(39)41-27-14-13-21-32(40)38-25-23-37(24-26-38)28-29-15-7-4-8-16-29/h4-12,15-20H,2-3,13-14,21-28H2,1H3