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

Systemtic Name: N-[2-[4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]ethyl]methanesulfonamide CAS Name: N-[2-[4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]phenyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]phenyl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]ethyl]methanesulfonamide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H22ClN3O4S2/c1-3-12-26-21(28)18-9-8-17(23)13-19(18)25-22(26)31-14-20(27)16-6-4-15(5-7-16)10-11-24-32(2,29)30/h3-9,13,24H,1,10-12,14H2,2H3