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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-isopentyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-isoamyl-acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2S/c1-4-9-22-17(24)14-6-5-13(19)10-15(14)21-18(22)25-11-16(23)20-8-7-12(2)3/h4-6,10,12H,1,7-9,11H2,2-3H3,(H,20,23)