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

Systemtic Name: methyl 4-[(2-fluorophenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-fluorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-fluorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H15FN2O2S MolecularWeight: 270.323103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O2S/c1-17-11(16)7-4-8-14-12(18)15-10-6-3-2-5-9(10)13/h2-3,5-6H,4,7-8H2,1H3,(H2,14,15,18)