N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C16H22F3N3O2S2 MolecularWeight: 409.48999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H22F3N3O2S2/c1-2-3-8-20-15(25)21-9-11-22(12-10-21)26(23,24)14-6-4-13(5-7-14)16(17,18)19/h4-7H,2-3,8-12H2,1H3,(H,20,25)