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

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]propanamide Traditional Name: 3-besyl-N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]propionamide Formula: C24H25N5O3S2 MolecularWeight: 495.617

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)CCS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3S2/c1-16-13-17(2)26-24(25-16)33-15-22-28-20-14-18(9-10-21(20)29(22)3)27-23(30)11-12-34(31,32)19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,30)