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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S/c1-14(25)16-3-5-17(6-4-16)23-20(26)12-29-21-22-8-9-24(21)11-15-2-7-18-19(10-15)28-13-27-18/h2-10H,11-13H2,1H3,(H,23,26)