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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-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-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-3-15(2)26-21(28)18-6-4-5-7-19(18)25-22(26)29-14-20(27)24-17-10-8-16(9-11-17)12-13-23/h4-11,15H,3,12,14H2,1-2H3,(H,24,27)/t15-/m0/s1