methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-fluorophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H19FN2O2S MolecularWeight: 298.376263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1F

InChI

InChI=1S/C14H19FN2O2S/c1-19-13(18)9-3-2-6-10-16-14(20)17-12-8-5-4-7-11(12)15/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,16,17,20)