(2R)-N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

InChI

InChI=1S/C20H24N4O2S/c1-14(18(25)23(2)13-7-12-21)27-20-22-17-11-6-5-10-16(17)19(26)24(20)15-8-3-4-9-15/h5-6,10-11,14-15H,3-4,7-9,13H2,1-2H3/t14-/m1/s1