N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H27N3O3S/c1-2-3-4-7-12-26-19-9-6-5-8-18(19)25-23(26)30-16-22(27)24-17-10-11-20-21(15-17)29-14-13-28-20/h5-6,8-11,15H,2-4,7,12-14,16H2,1H3,(H,24,27)