methyl 4-[(2-fluoranyl-4-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-fluoranyl-4-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-fluoro-4-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-fluoro-4-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-fluoro-4-methyl-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17FN2O2S MolecularWeight: 284.349683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCCCC(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCCCC(=O)OC)F

InChI

InChI=1S/C13H17FN2O2S/c1-9-5-6-11(10(14)8-9)16-13(19)15-7-3-4-12(17)18-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,19)