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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O5S/c1-28-8-2-7-25-20(27)15-5-3-13(22)9-16(15)24-21(25)31-11-19(26)23-14-4-6-17-18(10-14)30-12-29-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,23,26)