N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]benzamide

Systemtic Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]benzamide Openeye Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]benzamide CAS Name: N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]benzamide IUPAC Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]benzamide Traditional Name: N-[1-ethyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]benzamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1CSC4=NC=CC(=N4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1CSC4=NC=CC(=N4)C

InChI

InChI=1S/C22H21N5OS/c1-3-27-19-10-9-17(25-21(28)16-7-5-4-6-8-16)13-18(19)26-20(27)14-29-22-23-12-11-15(2)24-22/h4-13H,3,14H2,1-2H3,(H,25,28)