2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-propoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-propoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-propoxyphenyl)methyleneamino]acetamide CAS Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-propoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(4-propoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(4-propoxybenzylidene)amino]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC

InChI

InChI=1S/C21H24N4O2S/c1-3-13-27-17-11-9-16(10-12-17)14-22-24-20(26)15-28-21-23-18-7-5-6-8-19(18)25(21)4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)/p+1