5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-(4-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-(4-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H25N5O2S/c1-14-5-11-17(12-6-14)28-20(18(13-25-28)19(24)29)26-22(31)27-21(30)15-7-9-16(10-8-15)23(2,3)4/h5-13H,1-4H3,(H2,24,29)(H2,26,27,30,31)