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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

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