2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-cyclohexyl-2-benzimidazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-cyclohexylbenzimidazol-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H28N6OS/c30-21(27-13-15-28(16-14-27)22-24-11-6-12-25-22)17-31-23-26-19-9-4-5-10-20(19)29(23)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,13-17H2