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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4S/c1-2-3-4-7-12-26-22(28)17-8-5-6-9-18(17)25-23(26)31-14-21(27)24-16-10-11-19-20(13-16)30-15-29-19/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H,24,27)