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

Systemtic Name: 5-(1-ethyl-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-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-pentan-1-one CAS Name: 5-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-5-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 1-(4-benzylpiperazino)-5-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]pentan-1-one Formula: C33H38N4OS MolecularWeight: 538.74602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4OS/c1-2-37-32(29-18-10-5-11-19-29)31(28-16-8-4-9-17-28)34-33(37)39-25-13-12-20-30(38)36-23-21-35(22-24-36)26-27-14-6-3-7-15-27/h3-11,14-19H,2,12-13,20-26H2,1H3