methyl 6-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[2-propoxy-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-propoxy-5-(trifluoromethyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H25F3N2O3S MolecularWeight: 406.46291

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H25F3N2O3S/c1-3-11-26-15-9-8-13(18(19,20)21)12-14(15)23-17(27)22-10-6-4-5-7-16(24)25-2/h8-9,12H,3-7,10-11H2,1-2H3,(H2,22,23,27)