(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N,N-dimethyl-2-phenyl-acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-4-12-25-19(26)16-13-15(22)10-11-17(16)23-21(25)28-18(20(27)24(2)3)14-8-6-5-7-9-14/h4-11,13,18H,1,12H2,2-3H3/t18-/m0/s1