N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5S/c1-13-8-21(28)25(15-6-4-3-5-7-15)22(23-13)31-11-20(27)24-17-10-19-18(29-12-30-19)9-16(17)14(2)26/h3-10H,11-12H2,1-2H3,(H,24,27)