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

Systemtic Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-phenoxy-acetamide CAS Name: N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-2-phenoxyacetamide IUPAC Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-phenoxyacetamide Traditional Name: N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]-2-phenoxy-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-10-11-23-22(24-15)30-14-20-26-18-12-16(8-9-19(18)27(20)2)25-21(28)13-29-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,25,28)