N-(2-tert-butylphenyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-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-tert-butylphenyl)acetamide CAS Name: N-(2-tert-butylphenyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-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-tert-butylphenyl)acetamide Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C23H24ClN3O2S/c1-5-12-27-21(29)16-11-10-15(24)13-19(16)26-22(27)30-14-20(28)25-18-9-7-6-8-17(18)23(2,3)4/h5-11,13H,1,12,14H2,2-4H3,(H,25,28)