2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2S/c1-3-7-14(2)23-19(26)13-28-21-24-18-11-10-15(22)12-17(18)20(27)25(21)16-8-5-4-6-9-16/h4-6,8-12,14H,3,7,13H2,1-2H3,(H,23,26)/t14-/m0/s1