2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-tert-butylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-tert-butylphenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-tert-butylphenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-tert-butylphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-[(4-tert-butylbenzylidene)amino]acetamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)15-10-8-14(9-11-15)12-21-24-18(25)13-26-19-22-16-6-4-5-7-17(16)23-19/h4-12H,13H2,1-3H3,(H,22,23)(H,24,25)/p+1