N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-benzylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-benzylimidazol-2-yl)thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3CC4=CC=CC=C4)OCO2

InChI

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