N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C24H26N4O3S/c1-15(2)24(4,14-25)27-21(29)13-32-23-26-18-9-7-6-8-17(18)22(30)28(23)19-12-16(3)10-11-20(19)31-5/h6-12,15H,13H2,1-5H3,(H,27,29)/t24-/m1/s1