N-(tert-butylcarbamoyl)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-21(2,3)25-19(29)24-17(27)12-30-20-23-16-7-5-4-6-15(16)18(28)26(20)14-10-8-13(22)9-11-14/h4-11H,12H2,1-3H3,(H2,24,25,27,29)