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

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C23H23ClN4O2S/c1-14(2)23(4,13-25)27-20(29)12-31-22-26-18-10-6-5-8-16(18)21(30)28(22)19-11-7-9-17(24)15(19)3/h5-11,14H,12H2,1-4H3,(H,27,29)/t23-/m1/s1