2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-propan-2-yl-amino]ethanethioamide

Systemtic Name: 2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-propan-2-yl-amino]ethanethioamide Openeye Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-isopropyl-amino]thioacetamide CAS Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]ethanethioamide IUPAC Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-propan-2-ylamino]ethanethioamide Traditional Name: 2-[[3-(difluoromethyl)benzyl]sulfonyl-isopropyl-amino]thioacetamide Formula: C13H18F2N2O2S2 MolecularWeight: 336.421026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18F2N2O2S2/c1-9(2)17(7-12(16)20)21(18,19)8-10-4-3-5-11(6-10)13(14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,16,20)