methyl 6-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(difluoromethylthio)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20F2N2O2S2 MolecularWeight: 362.458306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)SC(F)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)SC(F)F

InChI

InChI=1S/C15H20F2N2O2S2/c1-21-13(20)5-3-2-4-10-18-15(22)19-11-6-8-12(9-7-11)23-14(16)17/h6-9,14H,2-5,10H2,1H3,(H2,18,19,22)