N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)OC)OCO2

InChI

InChI=1S/C21H19N3O5S/c1-13(25)16-9-18-19(29-12-28-18)10-17(16)23-20(26)11-30-21-22-7-8-24(21)14-3-5-15(27-2)6-4-14/h3-10H,11-12H2,1-2H3,(H,23,26)