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

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-13(18(25)23(2)10-6-9-21)27-20-22-17-12-15-8-5-4-7-14(15)11-16(17)19(26)24(20)3/h4-5,7-8,11-13H,6,10H2,1-3H3/t13-/m1/s1