2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)ethanamide Openeye Name: N-(4-cyanophenyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide Traditional Name: N-(4-cyanophenyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O2S/c1-3-14(2)25-20(27)17-6-4-5-7-18(17)24-21(25)28-13-19(26)23-16-10-8-15(12-22)9-11-16/h4-11,14H,3,13H2,1-2H3,(H,23,26)/t14-/m0/s1