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

Systemtic Name: N-[3-(2-methylpropoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3-isobutoxypropyl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[3-(2-methylpropoxy)propyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(2-methylpropoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3-isobutoxypropyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)COCCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3S/c1-19(2)17-31-16-6-13-26-24(30)22-18-32-25(27-22)21-11-14-28(15-12-21)23(29)10-9-20-7-4-3-5-8-20/h3-5,7-8,18-19,21H,6,11-17H2,1-2H3,(H,26,30)