[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]pyrazol-1-yl]methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C18H24N4O4S/c1-18(2,3)16(23)26-11-22-10-12(9-19-22)20-17(27)21-14-8-13(24-4)6-7-15(14)25-5/h6-10H,11H2,1-5H3,(H2,20,21,27)