N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenylimidazol-2-yl)thio]acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-13(24)15-9-17-18(27-12-26-17)10-16(15)22-19(25)11-28-20-21-7-8-23(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,25)