N-(2-cyanoethyl)-2-[4-oxidanylidene-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

InChI

InChI=1S/C21H20N4O2S/c1-15(16-8-3-2-4-9-16)25-20(27)17-10-5-6-11-18(17)24-21(25)28-14-19(26)23-13-7-12-22/h2-6,8-11,15H,7,13-14H2,1H3,(H,23,26)/t15-/m0/s1