3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

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