N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-methyl-ethanamide

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-methyl-ethanamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromo-4-oxo-quinazolin-3-yl)-N-methyl-acetamide CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromo-4-oxo-3-quinazolinyl)-N-methylacetamide IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromo-4-oxoquinazolin-3-yl)-N-methylacetamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6-bromo-4-keto-quinazolin-3-yl)-N-methyl-acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-12(19-23-16-5-3-4-6-17(16)28-19)24(2)18(26)10-25-11-22-15-8-7-13(21)9-14(15)20(25)27/h3-9,11-12H,10H2,1-2H3/t12-/m0/s1