2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(3,4,5-trimethoxybenzylidene)amino]acetamide Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C19H20N4O4S/c1-25-15-8-12(9-16(26-2)18(15)27-3)10-20-23-17(24)11-28-19-21-13-6-4-5-7-14(13)22-19/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/p+1