N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C24H24N4O3S/c1-3-31-20-11-7-6-10-19(20)28-22(30)17-8-4-5-9-18(17)26-23(28)32-14-21(29)27-24(2,15-25)16-12-13-16/h4-11,16H,3,12-14H2,1-2H3,(H,27,29)/t24-/m1/s1