5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Openeye Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(3,4-dichlorophenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Formula: C22H21Cl2N5O2S MolecularWeight: 490.40544

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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(=C(C=C3)Cl)Cl)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O2S/c1-22(2,3)13-6-4-12(5-7-13)20(31)28-21(32)27-19-15(18(25)30)11-26-29(19)14-8-9-16(23)17(24)10-14/h4-11H,1-3H3,(H2,25,30)(H2,27,28,31,32)