N-(cyanomethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-15(2)25-20(27)17-10-6-7-11-18(17)23-21(25)28-14-19(26)24(13-12-22)16-8-4-3-5-9-16/h3-11,15H,13-14H2,1-2H3