methyl 6-[[(Z)-(4-cyanophenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(4-cyanophenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-cyanophenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-cyanophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-cyanobenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H20N4O2S/c1-22-15(21)5-3-2-4-10-18-16(23)20-19-12-14-8-6-13(11-17)7-9-14/h6-9,12H,2-5,10H2,1H3,(H2,18,20,23)/b19-12-