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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=CN3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=CN3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5S/c25-20(23-15-2-4-16-19(10-15)27-8-7-26-16)12-30-21-22-5-6-24(21)11-14-1-3-17-18(9-14)29-13-28-17/h1-6,9-10H,7-8,11-13H2,(H,23,25)