methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,5-difluorophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2,5-difluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,5-difluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,5-difluorophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18F2N2O2S MolecularWeight: 316.366726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F2N2O2S/c1-20-13(19)5-3-2-4-8-17-14(21)18-12-9-10(15)6-7-11(12)16/h6-7,9H,2-5,8H2,1H3,(H2,17,18,21)