methyl 6-[[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(2,5-dimethyl-3-furyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(2,5-dimethyl-3-furanyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(2,5-dimethyl-3-furyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=NNC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(O1)C)/C(=N\NC(=S)NCCCCCC(=O)OC)/C

InChI

InChI=1S/C16H25N3O3S/c1-11-10-14(13(3)22-11)12(2)18-19-16(23)17-9-7-5-6-8-15(20)21-4/h10H,5-9H2,1-4H3,(H2,17,19,23)/b18-12-