2-[[4-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[1-methyl-2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H22N4O5S/c1-16(24(32)28-22-15-23(31)30(29-22)18-7-3-2-4-8-18)36-19-13-11-17(12-14-19)27-25(33)20-9-5-6-10-21(20)26(34)35/h2-14,16H,15H2,1H3,(H,27,33)(H,34,35)(H,28,29,32)