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

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O2S/c1-7-10-25-18(27)15-11-14(22)8-9-16(15)23-19(25)28-12-17(26)24-21(5,6)13-20(2,3)4/h7-9,11H,1,10,12-13H2,2-6H3,(H,24,26)