2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide

Systemtic Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide Openeye Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]thioacetamide CAS Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide IUPAC Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide Traditional Name: 2-[[2,5-bis(trifluoromethyl)benzyl]sulfonyl-ethyl-amino]thioacetamide Formula: C13H14F6N2O2S2 MolecularWeight: 408.382879

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=S)N)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCN(CC(=S)N)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H14F6N2O2S2/c1-2-21(6-11(20)24)25(22,23)7-8-5-9(12(14,15)16)3-4-10(8)13(17,18)19/h3-5H,2,6-7H2,1H3,(H2,20,24)