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

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C22H24N4O2S/c1-13(2)22(4,12-23)25-19(27)14(3)29-21-24-18-11-16-9-7-6-8-15(16)10-17(18)20(28)26(21)5/h6-11,13-14H,1-5H3,(H,25,27)/t14-,22-/m0/s1