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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(4-butoxy-3-methoxy-benzylidene)amino]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-4-11-28-18-10-9-15(12-19(18)27-2)13-22-25-20(26)14-29-21-23-16-7-5-6-8-17(16)24-21/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,24)(H,25,26)/b22-13+