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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromo-5-hydroxy-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(3-bromo-5-hydroxy-4-methoxy-benzylidene)amino]acetamide Formula: C17H15BrN4O3S MolecularWeight: 435.295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C17H15BrN4O3S/c1-25-16-11(18)6-10(7-14(16)23)8-19-22-15(24)9-26-17-20-12-4-2-3-5-13(12)21-17/h2-8,23H,9H2,1H3,(H,20,21)(H,22,24)/b19-8+