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

Systemtic Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-fluorobenzyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H19FN4O2S2 MolecularWeight: 358.454663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN4O2S2/c1-21-12(20)3-2-8-16-13(22)18-19-14(23)17-9-10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,16,18,22)(H2,17,19,23)