methyl 6-[[(4-fluorophenyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4-fluorophenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-fluoroanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(4-fluorophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-fluoroanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(4-fluoroanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H20FN3O2S MolecularWeight: 313.390903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3O2S/c1-20-13(19)5-3-2-4-10-16-14(21)18-17-12-8-6-11(15)7-9-12/h6-9,17H,2-5,10H2,1H3,(H2,16,18,21)