methyl 6-[[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(benzofuran-2-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(2-benzofuranyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(benzofuran-2-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=CC=CC=C2O1

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C18H23N3O3S/c1-13(16-12-14-8-5-6-9-15(14)24-16)20-21-18(25)19-11-7-3-4-10-17(22)23-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H2,19,21,25)/b20-13-