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

Systemtic Name: N-[(2-nitrophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(2-nitrophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(2-nitrophenyl)methyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(2-nitrophenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-nitrobenzyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC=CC=C3[N+](=O)[O-])C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NCC3=CC=CC=C3[N+](=O)[O-])C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c30-23(11-10-18-6-2-1-3-7-18)28-14-12-19(13-15-28)25-27-21(17-34-25)24(31)26-16-20-8-4-5-9-22(20)29(32)33/h1-9,17,19H,12-16H2,(H,26,31)