methyl 6-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H18ClF3N2O2S MolecularWeight: 382.82883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C15H18ClF3N2O2S/c1-23-13(22)5-3-2-4-8-20-14(24)21-10-6-7-12(16)11(9-10)15(17,18)19/h6-7,9H,2-5,8H2,1H3,(H2,20,21,24)