N-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2-phenyl-acetamide CAS Name: N-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide Traditional Name: N-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-2-phenyl-acetamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3S/c1-2-10-25-20(28)16-9-8-15(22)12-17(16)23-21(25)29-13-19(27)24-18(26)11-14-6-4-3-5-7-14/h2-9,12H,1,10-11,13H2,(H,24,26,27)