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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-butylpiperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide Formula: C17H21F6N3O2S2 MolecularWeight: 477.487959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F6N3O2S2/c1-2-3-4-24-15(29)25-5-7-26(8-6-25)30(27,28)14-10-12(16(18,19)20)9-13(11-14)17(21,22)23/h9-11H,2-8H2,1H3,(H,24,29)