N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-methyl-5-phenyl-imidazol-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=C(N3C)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=C(N3C)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H19N3O4S/c1-13(25)15-8-18-19(28-12-27-18)9-16(15)23-20(26)11-29-21-22-10-17(24(21)2)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,26)