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

Systemtic Name: N-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-methoxy-benzamide CAS Name: N-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-4-methoxybenzamide Traditional Name: N-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-4-methoxy-benzamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H18ClN3O4S/c1-3-10-25-20(28)16-9-6-14(22)11-17(16)23-21(25)30-12-18(26)24-19(27)13-4-7-15(29-2)8-5-13/h3-9,11H,1,10,12H2,2H3,(H,24,26,27)