methyl 6-[[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(4-methylsulfonylphenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(4-mesylphenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-13(14-8-10-15(11-9-14)26(3,22)23)19-20-17(25)18-12-6-4-5-7-16(21)24-2/h8-11H,4-7,12H2,1-3H3,(H2,18,20,25)/b19-13-