N-(2-morpholin-4-ylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-morpholin-4-ylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-morpholinophenyl)acetamide CAS Name: N-[2-(4-morpholinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-morpholinophenyl)acetamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c31-25(27-21-10-4-6-12-23(21)29-14-16-32-17-15-29)19-33-26-28-22-11-5-7-13-24(22)30(26)18-20-8-2-1-3-9-20/h1-13H,14-19H2,(H,27,31)/p+1