methyl 6-[[(Z)-(4-bromanyl-2-fluoranyl-phenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(4-bromanyl-2-fluoranyl-phenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-bromo-2-fluoro-phenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-bromo-2-fluoro-benzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H19BrFN3O2S MolecularWeight: 404.297663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=C(C=C(C=C1)Br)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C15H19BrFN3O2S/c1-22-14(21)5-3-2-4-8-18-15(23)20-19-10-11-6-7-12(16)9-13(11)17/h6-7,9-10H,2-5,8H2,1H3,(H2,18,20,23)/b19-10-