ethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[(homoveratrylthiocarbamoylamino)methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O5S/c1-4-33-23(30)21-18(22(29)28(27-21)17-8-6-5-7-9-17)15-26-24(34)25-13-12-16-10-11-19(31-2)20(14-16)32-3/h5-11,14-15H,4,12-13H2,1-3H3,(H2,25,26,34)