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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

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