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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4S/c1-14(2)9-10-25-21(27)16-5-3-4-6-17(16)24-22(25)30-12-20(26)23-15-7-8-18-19(11-15)29-13-28-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)