methyl 6-[[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C19H27N3O4S/c1-14(15-8-9-16-17(13-15)26-12-6-11-25-16)21-22-19(27)20-10-5-3-4-7-18(23)24-2/h8-9,13H,3-7,10-12H2,1-2H3,(H2,20,22,27)/b21-14-