2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(pentylsulfanylmethyl)amino]ethanethioamide

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(pentylsulfanylmethyl)amino]ethanethioamide Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(pentylsulfanylmethyl)amino]thioacetamide CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonyl-[(pentylthio)methyl]amino]ethanethioamide IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(pentylsulfanylmethyl)amino]ethanethioamide Traditional Name: 2-[(amylthio)methyl-[3,5-bis(trifluoromethyl)benzyl]sulfonyl-amino]thioacetamide Formula: C17H22F6N2O2S3 MolecularWeight: 496.554199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F6N2O2S3/c1-2-3-4-5-29-11-25(9-15(24)28)30(26,27)10-12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h6-8H,2-5,9-11H2,1H3,(H2,24,28)