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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2S/c26-21-9-6-19(7-10-21)16-27-24(31)22-17-32-25(28-22)20-12-14-29(15-13-20)23(30)11-8-18-4-2-1-3-5-18/h1-7,9-10,17,20H,12-16H2,(H,27,31)