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

Systemtic Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(2-propylsulfanylbutyl)amino]ethanethioamide Openeye Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(2-propylsulfanylbutyl)amino]thioacetamide CAS Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-[2-(propylthio)butyl]amino]ethanethioamide IUPAC Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-(2-propylsulfanylbutyl)amino]ethanethioamide Traditional Name: 2-[[2,5-bis(trifluoromethyl)benzyl]sulfonyl-[2-(propylthio)butyl]amino]thioacetamide Formula: C18H24F6N2O2S3 MolecularWeight: 510.580779

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC)CN(CC(=S)N)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCSC(CC)CN(CC(=S)N)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H24F6N2O2S3/c1-3-7-30-14(4-2)9-26(10-16(25)29)31(27,28)11-12-8-13(17(19,20)21)5-6-15(12)18(22,23)24/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H2,25,29)