5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C23H22F3N5O2S MolecularWeight: 489.51329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC=C3C(F)(F)F)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC=C3C(F)(F)F)C(=O)N

InChI

InChI=1S/C23H22F3N5O2S/c1-22(2,3)14-10-8-13(9-11-14)20(33)30-21(34)29-19-15(18(27)32)12-28-31(19)17-7-5-4-6-16(17)23(24,25)26/h4-12H,1-3H3,(H2,27,32)(H2,29,30,33,34)