2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-ethyl-N-(3-fluorobenzyl)acetamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H21ClFN3O2S/c1-3-10-27-21(29)18-9-8-16(23)12-19(18)25-22(27)30-14-20(28)26(4-2)13-15-6-5-7-17(24)11-15/h3,5-9,11-12H,1,4,10,13-14H2,2H3