N-[3,4-bis(fluoranyl)phenyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C24H19F2N3O2S MolecularWeight: 451.488366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H19F2N3O2S/c25-19-8-7-18(14-20(19)26)27-23(31)21-15-32-24(28-21)17-10-12-29(13-11-17)22(30)9-6-16-4-2-1-3-5-16/h1-5,7-8,14-15,17H,10-13H2,(H,27,31)