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

Systemtic Name: [4-[(4-sulfamoylphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(4-sulfamoylphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(4-sulfamoylphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(4-sulfamoylphenyl)thiocarbamoylamino]pyrazol-1-yl]methyl ester Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4S2/c1-16(2,3)14(22)25-10-21-9-12(8-18-21)20-15(26)19-11-4-6-13(7-5-11)27(17,23)24/h4-9H,10H2,1-3H3,(H2,17,23,24)(H2,19,20,26)