methyl 6-[[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3-fluoro-4-methoxyphenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H24FN3O3S MolecularWeight: 369.454163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C17H24FN3O3S/c1-12(13-8-9-15(23-2)14(18)11-13)20-21-17(25)19-10-6-4-5-7-16(22)24-3/h8-9,11H,4-7,10H2,1-3H3,(H2,19,21,25)/b20-12-