4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-methyl-piperazine-1-carbothioamide Formula: C14H15F6N3O2S2 MolecularWeight: 435.408219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F6N3O2S2/c1-21-12(26)22-2-4-23(5-3-22)27(24,25)11-7-9(13(15,16)17)6-10(8-11)14(18,19)20/h6-8H,2-5H2,1H3,(H,21,26)