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

Systemtic Name: N-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)acetamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-5-8-23-15(25)12-7-6-11(19)9-13(12)20-17(23)27-10-14(24)21-16(26)22-18(2,3)4/h5-7,9H,1,8,10H2,2-4H3,(H2,21,22,24,26)