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

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-tert-amyl-acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C18H22ClN3O2S/c1-5-9-22-16(24)13-10-12(19)7-8-14(13)20-17(22)25-11-15(23)21-18(3,4)6-2/h5,7-8,10H,1,6,9,11H2,2-4H3,(H,21,23)