N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C21H20N4O2S/c1-21(12-22,15-7-8-15)24-18(26)11-28-20-23-17-10-14-6-4-3-5-13(14)9-16(17)19(27)25(20)2/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,24,26)/t21-/m0/s1