N-tert-butyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-tert-butyl-acetamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C17H21N3O2S/c1-5-10-20-15(22)12-8-6-7-9-13(12)18-16(20)23-11-14(21)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,19,21)