N-(1,3-benzodioxol-5-yl)-2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O4S/c1-12(2)9-25-20(27)15-5-3-13(22)7-16(15)24-21(25)30-10-19(26)23-14-4-6-17-18(8-14)29-11-28-17/h3-8,12H,9-11H2,1-2H3,(H,23,26)