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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3S/c1-22(2,3)26-20(30)25-18(28)13-31-21-24-17-7-5-4-6-16(17)19(29)27(21)15-10-8-14(12-23)9-11-15/h4-11H,13H2,1-3H3,(H2,25,26,28,30)