3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[1-[4-(methylthio)phenyl]ethyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[1-[4-(methylthio)phenyl]ethyl]propionamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-13(14-3-6-16(27-2)7-4-14)23-19(25)9-10-24-12-22-18-8-5-15(21)11-17(18)20(24)26/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)