(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]propanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C20H23ClN4O2S/c1-6-9-25-18(27)15-10-14(21)7-8-16(15)23-19(25)28-13(4)17(26)24-20(5,11-22)12(2)3/h6-8,10,12-13H,1,9H2,2-5H3,(H,24,26)/t13-,20-/m0/s1