(2R)-N-tert-butyl-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-tert-butyl-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-tert-butyl-2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-tert-butyl-2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-tert-butyl-2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-tert-butyl-2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-13(18(26)24-21(2,3)4)28-20-23-17-12-14(22)10-11-16(17)19(27)25(20)15-8-6-5-7-9-15/h10-13,15H,5-9H2,1-4H3,(H,24,26)/t13-/m1/s1