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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(3-phenylpropioloyl)-4-piperidyl]-N-piperonyl-thiazole-4-carboxamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c30-24(9-7-18-4-2-1-3-5-18)29-12-10-20(11-13-29)26-28-21(16-34-26)25(31)27-15-19-6-8-22-23(14-19)33-17-32-22/h1-6,8,14,16,20H,10-13,15,17H2,(H,27,31)