methyl 6-[[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H23N3O5S/c1-22-13-8-12(9-14-16(13)25-11-24-14)10-19-20-17(26)18-7-5-3-4-6-15(21)23-2/h8-10H,3-7,11H2,1-2H3,(H2,18,20,26)/b19-10-