methyl 6-[[(Z)-(2-methylphenyl)methylideneamino]carbamothioylamino]hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-13-8-5-6-9-14(13)12-18-19-16(22)17-11-7-3-4-10-15(20)21-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H2,17,19,22)/b18-12-