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

Systemtic Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide Traditional Name: 3-besyl-N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]propionamide Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3S2/c1-16-10-12-24-23(25-16)32-15-21-27-19-14-17(8-9-20(19)28(21)2)26-22(29)11-13-33(30,31)18-6-4-3-5-7-18/h3-10,12,14H,11,13,15H2,1-2H3,(H,26,29)