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

Systemtic Name: N-(2H-benzotriazol-5-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2H-benzotriazol-5-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2H-benzotriazol-5-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2H-benzotriazol-5-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2H-benzotriazol-5-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C24H20N6O2S/c31-22(9-6-16-4-2-1-3-5-16)30-12-10-17(11-13-30)24-26-21(15-33-24)23(32)25-18-7-8-19-20(14-18)28-29-27-19/h1-5,7-8,14-15,17H,10-13H2,(H,25,32)(H,27,28,29)