(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide

Systemtic Name: (2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide Openeye Name: (2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]propanamide IUPAC Name: (2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide Traditional Name: (2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1S,2S)-2-methylcyclohexyl]propionamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-12(2)25-20(27)16-10-9-15(22)11-18(16)24-21(25)28-14(4)19(26)23-17-8-6-5-7-13(17)3/h9-14,17H,5-8H2,1-4H3,(H,23,26)/t13-,14+,17-/m0/s1