N-[2-ethyl-1-(pyridin-3-ylmethyl)-7-thiomorpholin-4-ylcarbonyl-benzimidazol-5-yl]ethanamide

Systemtic Name: N-[2-ethyl-1-(pyridin-3-ylmethyl)-7-thiomorpholin-4-ylcarbonyl-benzimidazol-5-yl]ethanamide Openeye Name: N-[2-ethyl-1-(3-pyridylmethyl)-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]acetamide CAS Name: N-[2-ethyl-7-[oxo(thiomorpholin-4-yl)methyl]-1-(3-pyridinylmethyl)-5-benzimidazolyl]acetamide IUPAC Name: N-[2-ethyl-1-(pyridin-3-ylmethyl)-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]acetamide Traditional Name: N-[2-ethyl-1-(3-pyridylmethyl)-7-(thiomorpholine-4-carbonyl)benzimidazol-5-yl]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)N4CCSCC4

Isomeric SMILES

CCC1=NC2=C(N1CC3=CN=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)N4CCSCC4

InChI

InChI=1S/C22H25N5O2S/c1-3-20-25-19-12-17(24-15(2)28)11-18(22(29)26-7-9-30-10-8-26)21(19)27(20)14-16-5-4-6-23-13-16/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,24,28)