N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C22H21N3O5S/c1-3-8-25-21(28)14-6-4-5-7-16(14)24-22(25)31-11-20(27)23-17-10-19-18(29-12-30-19)9-15(17)13(2)26/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,23,27)