3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-2-11-27-18-6-4-3-5-17(18)23-19(25)9-10-24-13-22-16-8-7-14(21)12-15(16)20(24)26/h2-8,12-13H,1,9-11H2,(H,23,25)