2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(m-tolyl)benzimidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H24N6OS/c1-18-6-4-7-19(16-18)30-21-9-3-2-8-20(21)27-24(30)32-17-22(31)28-12-14-29(15-13-28)23-25-10-5-11-26-23/h2-11,16H,12-15,17H2,1H3