(2R)-2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C23H23BrN4O2S/c1-3-4-7-12-28-22(30)18-13-17(24)10-11-20(18)27-23(28)31-15(2)21(29)26-19-9-6-5-8-16(19)14-25/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3,(H,26,29)/t15-/m1/s1