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

Systemtic Name: N-heptyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-heptyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-heptyl-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-heptyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-heptyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]-1,3,4-thiadiazole-2-carboxamide Formula: C22H28F3N5O2S MolecularWeight: 483.55023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28F3N5O2S/c1-2-3-4-5-8-11-26-18(31)19-27-28-21(33-19)30-14-12-29(13-15-30)20(32)16-9-6-7-10-17(16)22(23,24)25/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,26,31)