1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]ethanone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C(=O)C4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C(=O)C4CC4)C

InChI

InChI=1S/C21H26N4O2S/c1-15-11-16(2)13-18(12-15)25-6-5-22-21(25)28-14-19(26)23-7-9-24(10-8-23)20(27)17-3-4-17/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3