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

Systemtic Name: methyl 4-[(2-fluorophenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(2-fluorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-fluorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(2-fluorobenzyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17FN2O2S MolecularWeight: 284.349683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC1=CC=CC=C1F

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=CC=C1F

InChI

InChI=1S/C13H17FN2O2S/c1-18-12(17)7-4-8-15-13(19)16-9-10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9H2,1H3,(H2,15,16,19)