2-[[2,3-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide

Systemtic Name: 2-[[2,3-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide Openeye Name: 2-[[2,3-bis(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]thioacetamide CAS Name: 2-[[2,3-bis(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide IUPAC Name: 2-[[2,3-bis(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide Traditional Name: 2-[[2,3-bis(trifluoromethyl)benzyl]sulfonyl-ethyl-amino]thioacetamide Formula: C13H14F6N2O2S2 MolecularWeight: 408.382879

Click to see the large picture

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