N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-thiomorpholin-4-yl-but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-thiomorpholin-4-yl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-thiomorpholino-but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-thiomorpholin-4-yl-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-thiomorpholin-4-ylbut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-thiomorpholino-but-2-ynamide Formula: C24H20BrN5OS MolecularWeight: 506.4175

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CSCCN1CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrN5OS/c25-18-3-1-4-19(13-18)29-24-17(15-26)16-27-22-7-6-20(14-21(22)24)28-23(31)5-2-8-30-9-11-32-12-10-30/h1,3-4,6-7,13-14,16H,8-12H2,(H,27,29)(H,28,31)