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

Systemtic Name: methyl 6-[[(Z)-(4-methylphenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-p-tolylmethyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-methylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-methylphenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-methylbenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-13-7-9-14(10-8-13)12-18-19-16(22)17-11-5-3-4-6-15(20)21-2/h7-10,12H,3-6,11H2,1-2H3,(H2,17,19,22)/b18-12-