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

Systemtic Name: 2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-(2-pyrrol-1-ylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]-N-(2-pyrrol-1-ylphenyl)thiazole-4-carboxamide CAS Name: 2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-N-[2-(1-pyrrolyl)phenyl]-4-thiazolecarboxamide IUPAC Name: 2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-(2-pyrrol-1-ylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(3-phenylpropioloyl)-4-piperidyl]-N-(2-pyrrol-1-ylphenyl)thiazole-4-carboxamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC=CC=C3N4C=CC=C4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC=CC=C3N4C=CC=C4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2S/c33-26(13-12-21-8-2-1-3-9-21)32-18-14-22(15-19-32)28-30-24(20-35-28)27(34)29-23-10-4-5-11-25(23)31-16-6-7-17-31/h1-11,16-17,20,22H,14-15,18-19H2,(H,29,34)