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

Systemtic Name: methyl 6-[[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H23N3O4S/c1-12(13-7-8-14-15(10-13)24-11-23-14)19-20-17(25)18-9-5-3-4-6-16(21)22-2/h7-8,10H,3-6,9,11H2,1-2H3,(H2,18,20,25)/b19-12-