methyl 6-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]hexanoate Traditional Name: 6-[[2-nitro-4-(trifluoromethyl)anilino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H19F3N4O4S MolecularWeight: 408.39597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H19F3N4O4S/c1-26-13(23)5-3-2-4-8-19-14(27)21-20-11-7-6-10(15(16,17)18)9-12(11)22(24)25/h6-7,9,20H,2-5,8H2,1H3,(H2,19,21,27)