methyl 6-[[[2,4-bis(fluoranyl)phenyl]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[2,4-bis(fluoranyl)phenyl]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,4-difluoroanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(2,4-difluorophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,4-difluoroanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(2,4-difluoroanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H19F2N3O2S MolecularWeight: 331.381366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=C(C=C(C=C1)F)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C14H19F2N3O2S/c1-21-13(20)5-3-2-4-8-17-14(22)19-18-12-7-6-10(15)9-11(12)16/h6-7,9,18H,2-5,8H2,1H3,(H2,17,19,22)