(2S)-N-(4-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-bromophenyl)propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-bromophenyl)propionamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H18BrN3O2S/c1-3-12-24-19(26)16-6-4-5-7-17(16)23-20(24)27-13(2)18(25)22-15-10-8-14(21)9-11-15/h3-11,13H,1,12H2,2H3,(H,22,25)/t13-/m0/s1