N-[(3,5-dimethylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3,5-dimethylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(3,5-dimethylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(3,5-dimethylphenyl)methyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3,5-dimethylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3,5-dimethylbenzyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O2S/c1-19-14-20(2)16-22(15-19)17-28-26(32)24-18-33-27(29-24)23-10-12-30(13-11-23)25(31)9-8-21-6-4-3-5-7-21/h3-7,14-16,18,23H,10-13,17H2,1-2H3,(H,28,32)