2-[[4-butoxy-3-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide

Systemtic Name: 2-[[4-butoxy-3-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanethioamide Openeye Name: 2-[[4-butoxy-3-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]thioacetamide CAS Name: 2-[[4-butoxy-3-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide IUPAC Name: 2-[[4-butoxy-3-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]ethanethioamide Traditional Name: 2-[[4-butoxy-3-(trifluoromethyl)benzyl]sulfonyl-ethyl-amino]thioacetamide Formula: C16H23F3N2O3S2 MolecularWeight: 412.49063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CS(=O)(=O)N(CC)CC(=S)N)C(F)(F)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CS(=O)(=O)N(CC)CC(=S)N)C(F)(F)F

InChI

InChI=1S/C16H23F3N2O3S2/c1-3-5-8-24-14-7-6-12(9-13(14)16(17,18)19)11-26(22,23)21(4-2)10-15(20)25/h6-7,9H,3-5,8,10-11H2,1-2H3,(H2,20,25)