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

Systemtic Name: N-octyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-octyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-octyl-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-octyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-octyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]-1,3,4-thiadiazole-2-carboxamide Formula: C23H30F3N5O2S MolecularWeight: 497.57681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30F3N5O2S/c1-2-3-4-5-6-9-12-27-19(32)20-28-29-22(34-20)31-15-13-30(14-16-31)21(33)17-10-7-8-11-18(17)23(24,25)26/h7-8,10-11H,2-6,9,12-16H2,1H3,(H,27,32)