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

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-11(2)20-15(22)12-6-3-4-7-13(12)19-16(20)23-10-14(21)18-9-5-8-17/h3-4,6-7,11H,5,9-10H2,1-2H3,(H,18,21)