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

Systemtic Name: N-(3-cyanophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N4O2S/c1-13(2)24-19(26)16-8-3-4-9-17(16)23-20(24)27-12-18(25)22-15-7-5-6-14(10-15)11-21/h3-10,13H,12H2,1-2H3,(H,22,25)