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

Systemtic Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-propyl-amino]ethanethioamide Openeye Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-propyl-amino]thioacetamide CAS Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-propylamino]ethanethioamide IUPAC Name: 2-[[3,4-bis(trifluoromethyl)phenyl]methylsulfonyl-propylamino]ethanethioamide Traditional Name: 2-[[3,4-bis(trifluoromethyl)benzyl]sulfonyl-propyl-amino]thioacetamide Formula: C14H16F6N2O2S2 MolecularWeight: 422.409459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F6N2O2S2/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/h3-4,6H,2,5,7-8H2,1H3,(H2,21,25)