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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C21H22N4O2S/c1-13(2)21(3,12-22)24-18(26)11-28-20-23-17-10-15-8-6-5-7-14(15)9-16(17)19(27)25(20)4/h5-10,13H,11H2,1-4H3,(H,24,26)/t21-/m0/s1