2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromo-4,5-dimethoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-bromo-4,5-dimethoxy-benzylidene)amino]acetamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)Br)OC

InChI

InChI=1S/C18H17BrN4O3S/c1-25-15-8-11(7-12(19)17(15)26-2)9-20-23-16(24)10-27-18-21-13-5-3-4-6-14(13)22-18/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/b20-9+