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

Systemtic Name: methyl 4-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-fluorophenyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H17FN4O2S2 MolecularWeight: 344.428083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=S)NC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=S)NC1=CC=C(C=C1)F

InChI

InChI=1S/C13H17FN4O2S2/c1-20-11(19)3-2-8-15-12(21)17-18-13(22)16-10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3,(H2,15,17,21)(H2,16,18,22)