N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16ClN3O4S/c1-2-7-24-19(26)14-5-3-12(21)8-15(14)23-20(24)29-10-18(25)22-13-4-6-16-17(9-13)28-11-27-16/h2-6,8-9H,1,7,10-11H2,(H,22,25)