methyl 6-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]hexanoate CAS Name: 6-[[[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(difluoromethoxy)-3-methoxyphenyl]methylcarbamothioylamino]hexanoate Traditional Name: 6-[[4-(difluoromethoxy)-3-methoxy-benzyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H24F2N2O4S MolecularWeight: 390.445266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCCCCCC(=O)OC)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCCCCCC(=O)OC)OC(F)F

InChI

InChI=1S/C17H24F2N2O4S/c1-23-14-10-12(7-8-13(14)25-16(18)19)11-21-17(26)20-9-5-3-4-6-15(22)24-2/h7-8,10,16H,3-6,9,11H2,1-2H3,(H2,20,21,26)