methyl 6-[[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H25N3O5S/c1-23-14-10-13(11-15-17(14)26-9-8-25-15)12-20-21-18(27)19-7-5-3-4-6-16(22)24-2/h10-12H,3-9H2,1-2H3,(H2,19,21,27)/b20-12-