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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3-chloro-4-methyl-benzyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O2S/c1-18-7-8-20(15-22(18)27)16-28-25(32)23-17-33-26(29-23)21-11-13-30(14-12-21)24(31)10-9-19-5-3-2-4-6-19/h2-8,15,17,21H,11-14,16H2,1H3,(H,28,32)