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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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