methyl 6-[(3-fluorophenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-fluorophenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-fluorophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-fluorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-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=C1)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC(=CC=C1)F

InChI

InChI=1S/C14H19FN2O2S/c1-19-13(18)8-3-2-4-9-16-14(20)17-12-7-5-6-11(15)10-12/h5-7,10H,2-4,8-9H2,1H3,(H2,16,17,20)