2-[[2-bromanyl-3-(trifluoromethyl)phenyl]methylsulfonyl-hexyl-amino]ethanethioamide

Systemtic Name: 2-[[2-bromanyl-3-(trifluoromethyl)phenyl]methylsulfonyl-hexyl-amino]ethanethioamide Openeye Name: 2-[[2-bromo-3-(trifluoromethyl)phenyl]methylsulfonyl-hexyl-amino]thioacetamide CAS Name: 2-[[2-bromo-3-(trifluoromethyl)phenyl]methylsulfonyl-hexylamino]ethanethioamide IUPAC Name: 2-[[2-bromo-3-(trifluoromethyl)phenyl]methylsulfonyl-hexylamino]ethanethioamide Traditional Name: 2-[[2-bromo-3-(trifluoromethyl)benzyl]sulfonyl-hexyl-amino]thioacetamide Formula: C16H22BrF3N2O2S2 MolecularWeight: 475.38729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(=S)N)S(=O)(=O)CC1=C(C(=CC=C1)C(F)(F)F)Br

Isomeric SMILES

CCCCCCN(CC(=S)N)S(=O)(=O)CC1=C(C(=CC=C1)C(F)(F)F)Br

InChI

InChI=1S/C16H22BrF3N2O2S2/c1-2-3-4-5-9-22(10-14(21)25)26(23,24)11-12-7-6-8-13(15(12)17)16(18,19)20/h6-8H,2-5,9-11H2,1H3,(H2,21,25)