N-(1,3-benzodioxol-5-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzylthio)benzimidazol-1-yl]acetamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S/c27-22(24-17-10-11-20-21(12-17)29-15-28-20)13-26-19-9-5-4-8-18(19)25-23(26)30-14-16-6-2-1-3-7-16/h1-12H,13-15H2,(H,24,27)