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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-pentyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-amylbenzimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O3S/c1-2-3-6-11-25-18-8-5-4-7-17(18)24-22(25)29-14-21(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)