2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)N(C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H21ClFN3O2S/c1-4-11-27-21(29)18-10-7-16(23)12-19(18)25-22(27)30-13-20(28)26(3)14(2)15-5-8-17(24)9-6-15/h4-10,12,14H,1,11,13H2,2-3H3/t14-/m0/s1