4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)-3-methoxy-phenyl]methylideneamino]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)-3-methoxy-phenyl]methylideneamino]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)-3-methoxy-phenyl]methyleneamino]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-[4-(cyanomethoxy)-3-methoxy-benzylidene]amino]benzamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OCC#N

InChI

InChI=1S/C25H21N5O3S/c1-32-23-14-18(8-11-22(23)33-13-12-26)15-27-30-24(31)19-9-6-17(7-10-19)16-34-25-28-20-4-2-3-5-21(20)29-25/h2-11,14-15H,13,16H2,1H3,(H,28,29)(H,30,31)/b27-15+