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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-3-17(2)27-22(29)19-12-7-8-13-20(19)25-23(27)30-16-21(28)26(15-9-14-24)18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,15-16H2,1-2H3/t17-/m0/s1