N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]cyclohexanecarboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-14-10-11-22-21(23-14)28-13-19-25-17-12-16(8-9-18(17)26(19)2)24-20(27)15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,24,27)