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

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c29-21(10-9-17-6-2-1-3-7-17)28-14-11-18(12-15-28)24-27-20(16-32-24)23(31)26-19-8-4-5-13-25-22(19)30/h1-3,6-7,16,18-19H,4-5,8,11-15H2,(H,25,30)(H,26,31)