N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C21H19Cl2N3O2S MolecularWeight: 448.36546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O2S/c1-4-7-26-20(28)15-6-5-14(22)10-17(15)24-21(26)29-11-18(27)25-19-13(3)8-12(2)9-16(19)23/h4-6,8-10H,1,7,11H2,2-3H3,(H,25,27)