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

Systemtic Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenyl-propanamide Openeye Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenyl-propanamide CAS Name: N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-3-phenylpropanamide IUPAC Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenylpropanamide Traditional Name: N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]-3-phenyl-propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-16-12-13-24-23(25-16)30-15-21-27-19-14-18(9-10-20(19)28(21)2)26-22(29)11-8-17-6-4-3-5-7-17/h3-7,9-10,12-14H,8,11,15H2,1-2H3,(H,26,29)