methyl 6-[[(Z)-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)methyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H27N5O3S/c1-15-17(24(2)25(19(15)27)16-10-6-4-7-11-16)14-22-23-20(29)21-13-9-5-8-12-18(26)28-3/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H2,21,23,29)/b22-14-