N-(tert-butylcarbamoyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-21(2,3)24-19(28)23-17(26)13-29-20-22-16-12-8-7-11-15(16)18(27)25(20)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H2,23,24,26,28)