N-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[(5-bromo-2-methoxy-benzylidene)amino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H18BrN4O2S+ MolecularWeight: 434.33012

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C18H17BrN4O2S/c1-23-15-6-4-3-5-14(15)21-18(23)26-11-17(24)22-20-10-12-9-13(19)7-8-16(12)25-2/h3-10H,11H2,1-2H3,(H,22,24)/p+1