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

Systemtic Name: methyl 6-[[(Z)-(4-ethylphenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-ethylphenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-ethylphenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-ethylbenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H25N3O2S/c1-3-14-8-10-15(11-9-14)13-19-20-17(23)18-12-6-4-5-7-16(21)22-2/h8-11,13H,3-7,12H2,1-2H3,(H2,18,20,23)/b19-13-