2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide

Systemtic Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide Openeye Name: 2-[allyl-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl]amino]thioacetamide CAS Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide IUPAC Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide Traditional Name: 2-[allyl-[3,4-bis(trifluoromethyl)benzyl]sulfonyl-amino]thioacetamide Formula: C14H14F6N2O2S2 MolecularWeight: 420.393579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F6N2O2S2/c1-2-5-22(7-12(21)25)26(23,24)8-9-3-4-10(13(15,16)17)11(6-9)14(18,19)20/h2-4,6H,1,5,7-8H2,(H2,21,25)