methyl 6-[[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3-fluoro-4-pyrrolidino-phenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H29FN4O2S MolecularWeight: 408.533263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC(=C(C=C1)N2CCCC2)F

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC(=C(C=C1)N2CCCC2)F

InChI

InChI=1S/C20H29FN4O2S/c1-15(16-9-10-18(17(21)14-16)25-12-6-7-13-25)23-24-20(28)22-11-5-3-4-8-19(26)27-2/h9-10,14H,3-8,11-13H2,1-2H3,(H2,22,24,28)/b23-15-