N-(2,6-diethylphenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC=C(N2CC)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC=C(N2CC)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H29N3O3S/c1-4-17-8-7-9-18(5-2)24(17)27-23(29)16-32-25-26-15-20(28(25)6-3)19-10-11-21-22(14-19)31-13-12-30-21/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,27,29)