methyl 6-[[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H25N3O4S/c1-13(14-7-8-15-16(12-14)25-11-10-24-15)20-21-18(26)19-9-5-3-4-6-17(22)23-2/h7-8,12H,3-6,9-11H2,1-2H3,(H2,19,21,26)/b20-13-