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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hexyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hexylbenzimidazol-2-yl)thio]ethanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-2-3-4-7-12-25-19-9-6-5-8-18(19)24-23(25)29-16-20(26)17-10-11-21-22(15-17)28-14-13-27-21/h5-6,8-11,15H,2-4,7,12-14,16H2,1H3