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

Systemtic Name: tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]propyl]carbamate CAS Name: N-[3-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]propyl]carbamate Traditional Name: N-[3-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C16H22F3N3O2S MolecularWeight: 377.42499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O2S/c1-15(2,3)24-14(23)21-10-4-9-20-13(25)22-12-7-5-11(6-8-12)16(17,18)19/h5-8H,4,9-10H2,1-3H3,(H,21,23)(H2,20,22,25)