N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(1-isobutylbenzimidazol-2-yl)thio]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3S/c1-15(2)12-25-18-8-4-3-7-17(18)24-22(25)29-14-21(26)23-11-16-13-27-19-9-5-6-10-20(19)28-16/h3-10,15-16H,11-14H2,1-2H3,(H,23,26)