N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(pentylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)acetamide Traditional Name: 2-[2-(amylthio)benzimidazol-1-yl]-N-piperonyl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O3S/c1-2-3-6-11-29-22-24-17-7-4-5-8-18(17)25(22)14-21(26)23-13-16-9-10-19-20(12-16)28-15-27-19/h4-5,7-10,12H,2-3,6,11,13-15H2,1H3,(H,23,26)