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

Systemtic Name: N-butyl-5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-butyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-butyl-5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-butyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-butyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazino]-1,3,4-thiadiazole-2-carboxamide Formula: C19H22F3N5O2S MolecularWeight: 441.47049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N5O2S/c1-2-3-8-23-15(28)16-24-25-18(30-16)27-11-9-26(10-12-27)17(29)13-6-4-5-7-14(13)19(20,21)22/h4-7H,2-3,8-12H2,1H3,(H,23,28)