3-[4-aminocarbonyl-5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]pyrazol-1-yl]benzoate

Systemtic Name: 3-[4-aminocarbonyl-5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]pyrazol-1-yl]benzoate Openeye Name: 3-[5-[(4-tert-butylbenzoyl)carbamothioylamino]-4-carbamoyl-pyrazol-1-yl]benzoate CAS Name: 3-[5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-carbamoyl-1-pyrazolyl]benzoate IUPAC Name: 3-[5-[(4-tert-butylbenzoyl)carbamothioylamino]-4-carbamoylpyrazol-1-yl]benzoate Traditional Name: 3-[5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-carbamoyl-pyrazol-1-yl]benzoate Formula: C23H22N5O4S- MolecularWeight: 464.51688

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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(=C3)C(=O)[O-])C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC(=C3)C(=O)[O-])C(=O)N

InChI

InChI=1S/C23H23N5O4S/c1-23(2,3)15-9-7-13(8-10-15)20(30)27-22(33)26-19-17(18(24)29)12-25-28(19)16-6-4-5-14(11-16)21(31)32/h4-12H,1-3H3,(H2,24,29)(H,31,32)(H2,26,27,30,33)/p-1