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

Systemtic Name: methyl 4-[[(2-fluorophenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2-fluorobenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-fluorobenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2-fluorobenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H16FN3O3S MolecularWeight: 313.347843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC=CC=C1F

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C13H16FN3O3S/c1-20-11(18)7-4-8-15-13(21)17-16-12(19)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,16,19)(H2,15,17,21)