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

Systemtic Name: N-[4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O4S2/c1-4-11-25-20(27)17-10-7-15(22)12-18(17)23-21(25)30-13(2)19(26)14-5-8-16(9-6-14)24-31(3,28)29/h4-10,12-13,24H,1,11H2,2-3H3