2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-ethoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(4-butoxy-3-ethoxy-benzylidene)amino]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H26N4O3S/c1-3-5-12-29-19-11-10-16(13-20(19)28-4-2)14-23-26-21(27)15-30-22-24-17-8-6-7-9-18(17)25-22/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,24,25)(H,26,27)/b23-14+