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

Systemtic Name: N-(3-chloranyl-4-methoxy-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-4-methoxy-phenyl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-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-4-methoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C23H21ClN3O2S+ MolecularWeight: 438.94974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3O2S/c1-29-21-12-11-17(13-18(21)24)25-22(28)15-30-23-26-19-9-5-6-10-20(19)27(23)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)/p+1