4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C17H19F6N3O2S2 MolecularWeight: 475.472079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F6N3O2S2/c1-11(2)10-24-15(29)25-3-5-26(6-4-25)30(27,28)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9H,1,3-6,10H2,2H3,(H,24,29)