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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]acetamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-ethoxy-3-methoxy-benzylidene)amino]acetamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H26N4O3S/c1-3-33-23-14-13-20(15-24(23)32-2)16-27-29-25(31)18-34-26-28-21-11-7-8-12-22(21)30(26)17-19-9-5-4-6-10-19/h4-16H,3,17-18H2,1-2H3,(H,29,31)/p+1