N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2-morpholino-phenyl)acetamide CAS Name: N-[5-chloro-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-(5-chloro-2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2-morpholino-phenyl)acetamide Formula: C26H26ClN4O2S+ MolecularWeight: 494.02824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O2S/c27-20-10-11-23(30-12-14-33-15-13-30)22(16-20)28-25(32)18-34-26-29-21-8-4-5-9-24(21)31(26)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,28,32)/p+1