methyl N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[4-(difluoromethylthio)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[4-(difluoromethylsulfanyl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-[4-(difluoromethylthio)phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C13H12F2N2O2S4 MolecularWeight: 394.503386

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C13H12F2N2O2S4/c1-20-13(17-23(18,19)11-3-2-8-21-11)16-9-4-6-10(7-5-9)22-12(14)15/h2-8,12H,1H3,(H,16,17)