(2S)-2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C19H17BrN4O3S/c1-11(16(25)23-18(27)21-2)28-19-22-15-9-8-12(20)10-14(15)17(26)24(19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,23,25,27)/t11-/m0/s1