6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]hexane-1,5-dione

Systemtic Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]hexane-1,5-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]hexane-1,5-dione CAS Name: 6-[(1,3-dimethyl-2H-imidazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]hexane-1,5-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-6-[(1,3-dimethyl-2H-imidazol-2-yl)sulfanyl]hexane-1,5-dione Traditional Name: 1-(4-benzylpiperazino)-6-[(1,3-dimethyl-4-imidazolin-2-yl)thio]hexane-1,5-dione Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1SCC(=O)CCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C=CN(C1SCC(=O)CCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O2S/c1-23-11-12-24(2)22(23)29-18-20(27)9-6-10-21(28)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-5,7-8,11-12,22H,6,9-10,13-18H2,1-2H3