methyl 6-[[2-(3-fluoranylphenoxy)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(3-fluoranylphenoxy)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(3-fluorophenoxy)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(3-fluorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(3-fluorophenoxy)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(3-fluorophenoxy)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22FN3O4S MolecularWeight: 371.426983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)COC1=CC(=CC=C1)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)COC1=CC(=CC=C1)F

InChI

InChI=1S/C16H22FN3O4S/c1-23-15(22)8-3-2-4-9-18-16(25)20-19-14(21)11-24-13-7-5-6-12(17)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,21)(H2,18,20,25)