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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

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