(2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C25H28N4O2S/c1-6-18-11-13-19(14-12-18)29-23(31)20-9-7-8-10-21(20)27-24(29)32-17(4)22(30)28-25(5,15-26)16(2)3/h7-14,16-17H,6H2,1-5H3,(H,28,30)/t17-,25-/m1/s1