N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H22N4O3S/c1-5-10-24-18(26)13-8-6-7-9-14(13)21-19(24)28-12-16(25)22-17-11-15(23-27-17)20(2,3)4/h5-9,11H,1,10,12H2,2-4H3,(H,22,25)