methyl 6-[[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3,4-dimethylphenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=S)NCCCCCC(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N\NC(=S)NCCCCCC(=O)OC)/C)C

InChI

InChI=1S/C18H27N3O2S/c1-13-9-10-16(12-14(13)2)15(3)20-21-18(24)19-11-7-5-6-8-17(22)23-4/h9-10,12H,5-8,11H2,1-4H3,(H2,19,21,24)/b20-15-