N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-isopentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(3-methylbutyl)-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-isoamyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]-1,3,4-thiadiazole-2-carboxamide Formula: C20H24F3N5O2S MolecularWeight: 455.49707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=O)C1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H24F3N5O2S/c1-13(2)7-8-24-16(29)17-25-26-19(31-17)28-11-9-27(10-12-28)18(30)14-5-3-4-6-15(14)20(21,22)23/h3-6,13H,7-12H2,1-2H3,(H,24,29)