methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]butanoate Traditional Name: 4-[[3-[(4-fluorophenyl)thio]propanoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20FN3O3S2 MolecularWeight: 373.466003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C15H20FN3O3S2/c1-22-14(21)3-2-9-17-15(23)19-18-13(20)8-10-24-12-6-4-11(16)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,18,20)(H2,17,19,23)