(E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-thiomorpholin-4-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-thiomorpholin-4-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholino-but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-6-quinazolinyl]-4-thiomorpholin-4-yl-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholin-4-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholino-but-2-enamide Formula: C22H22BrN5OS MolecularWeight: 484.41198

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC=CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CSCCN1C/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)/b5-2+