N-[[4-(1-methylbenzimidazol-2-yl)cyclohexyl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[4-(1-methylbenzimidazol-2-yl)cyclohexyl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[4-(1-methylbenzimidazol-2-yl)cyclohexyl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[4-(1-methyl-2-benzimidazolyl)cyclohexyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[4-(1-methylbenzimidazol-2-yl)cyclohexyl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[4-(1-methylbenzimidazol-2-yl)cyclohexyl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3CCC(CC3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3CCC(CC3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H25N5OS/c1-26-18-6-3-2-5-17(18)25-20(26)16-9-7-15(8-10-16)13-24-19(27)14-28-21-22-11-4-12-23-21/h2-6,11-12,15-16H,7-10,13-14H2,1H3,(H,24,27)