methyl 6-[[(4-fluorophenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4-fluorophenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-fluorobenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-fluorobenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-fluorobenzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20FN3O3S MolecularWeight: 341.401003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C15H20FN3O3S/c1-22-13(20)5-3-2-4-10-17-15(23)19-18-14(21)11-6-8-12(16)9-7-11/h6-9H,2-5,10H2,1H3,(H,18,21)(H2,17,19,23)