2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3,4-dimethylphenyl)-1-phenylimidazol-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]thio]ethanone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)N3CCN(CC3)C(=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)N3CCN(CC3)C(=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-18-9-10-21(15-19(18)2)23-16-29(22-7-5-4-6-8-22)25(26-23)32-17-24(31)28-13-11-27(12-14-28)20(3)30/h4-10,15-16H,11-14,17H2,1-3H3