N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-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-(6-chloro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-chloro-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-(6-chloro-1,3-benzodioxol-5-yl)acetamide Formula: C20H15Cl2N3O4S MolecularWeight: 464.3218

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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=C3Cl)OCO4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H15Cl2N3O4S/c1-2-5-25-19(27)12-4-3-11(21)6-14(12)24-20(25)30-9-18(26)23-15-8-17-16(7-13(15)22)28-10-29-17/h2-4,6-8H,1,5,9-10H2,(H,23,26)