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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C15H17F6N3O2S2 MolecularWeight: 449.434799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F6N3O2S2/c1-2-22-13(27)23-3-5-24(6-4-23)28(25,26)12-8-10(14(16,17)18)7-11(9-12)15(19,20)21/h7-9H,2-6H2,1H3,(H,22,27)