3-bromanyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]benzamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C22H20BrN5OS/c1-13-9-14(2)25-22(24-13)30-12-20-27-18-11-17(7-8-19(18)28(20)3)26-21(29)15-5-4-6-16(23)10-15/h4-11H,12H2,1-3H3,(H,26,29)