2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]-N-(6-quinolyl)thiazole-4-carboxamide CAS Name: 2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-N-(6-quinolinyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(3-phenylpropioloyl)-4-piperidyl]-N-(6-quinolyl)thiazole-4-carboxamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=C(C=C3)N=CC=C4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c32-25(11-8-19-5-2-1-3-6-19)31-15-12-20(13-16-31)27-30-24(18-34-27)26(33)29-22-9-10-23-21(17-22)7-4-14-28-23/h1-7,9-10,14,17-18,20H,12-13,15-16H2,(H,29,33)