N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-methylacetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-6-fluoro-benzyl)-N-methyl-acetamide Formula: C21H18Cl2FN3O2S MolecularWeight: 466.355923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H18Cl2FN3O2S/c1-3-9-27-20(29)14-10-13(22)7-8-18(14)25-21(27)30-12-19(28)26(2)11-15-16(23)5-4-6-17(15)24/h3-8,10H,1,9,11-12H2,2H3