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

Systemtic Name: methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(4-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=C(C=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C13H17FN2O2S/c1-18-12(17)3-2-8-15-13(19)16-9-10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,15,16,19)