tert-butyl N-[3-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propyl]carbamate CAS Name: N-[3-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propyl]carbamate Traditional Name: N-[3-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C16H22F3N3O3S MolecularWeight: 393.42439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O3S/c1-15(2,3)25-14(23)21-10-4-9-20-13(26)22-11-5-7-12(8-6-11)24-16(17,18)19/h5-8H,4,9-10H2,1-3H3,(H,21,23)(H2,20,22,26)