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

Systemtic Name: N-hexyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-hexyl-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]-1,3,4-thiadiazole-2-carboxamide Formula: C21H26F3N5O2S MolecularWeight: 469.52365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26F3N5O2S/c1-2-3-4-7-10-25-17(30)18-26-27-20(32-18)29-13-11-28(12-14-29)19(31)15-8-5-6-9-16(15)21(22,23)24/h5-6,8-9H,2-4,7,10-14H2,1H3,(H,25,30)