5-[(2-chlorophenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[(2-chlorophenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(2-chlorobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-sulfamoylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(2-chlorobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(2-chlorobenzoyl)thiocarbamoylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Formula: C18H15ClN6O4S2 MolecularWeight: 478.9325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N)Cl

InChI

InChI=1S/C18H15ClN6O4S2/c19-14-4-2-1-3-12(14)17(27)24-18(30)23-16-13(15(20)26)9-22-25(16)10-5-7-11(8-6-10)31(21,28)29/h1-9H,(H2,20,26)(H2,21,28,29)(H2,23,24,27,30)