methyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(4-fluorophenyl)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C14H19FN2O2S MolecularWeight: 298.376263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)F

InChI

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