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

Systemtic Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-19(22-9-6-10-23(17-22)33-2)28-26(32)24-18-34-27(29-24)21-13-15-30(16-14-21)25(31)12-11-20-7-4-3-5-8-20/h3-10,17-19,21H,13-16H2,1-2H3,(H,28,32)