tert-butyl N-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]carbamate Openeye Name: tert-butyl N-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]carbamate CAS Name: N-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]carbamate Traditional Name: N-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C13H16F3N3O3S MolecularWeight: 351.34465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3O3S/c1-12(2,3)22-11(20)19-18-10(23)17-8-4-6-9(7-5-8)21-13(14,15)16/h4-7H,1-3H3,(H,19,20)(H2,17,18,23)