tert-butyl N-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]carbamate Openeye Name: tert-butyl N-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]carbamate CAS Name: N-[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]carbamate Traditional Name: N-[[4-(difluoromethylthio)phenyl]thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C13H17F2N3O2S2 MolecularWeight: 349.419786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)NC1=CC=C(C=C1)SC(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)NC1=CC=C(C=C1)SC(F)F

InChI

InChI=1S/C13H17F2N3O2S2/c1-13(2,3)20-12(19)18-17-11(21)16-8-4-6-9(7-5-8)22-10(14)15/h4-7,10H,1-3H3,(H,18,19)(H2,16,17,21)