N-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]-3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]benzamide CAS Name: N-[4-[(2-amino-2-oxoethyl)thio]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]benzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)thio]-5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]-3-[[2-(2,4-ditert-amylphenoxy)acetyl]amino]benzamide Formula: C36H40Cl3N5O5S MolecularWeight: 761.1573

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3SCC(=O)N)C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3SCC(=O)N)C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)CC

InChI

InChI=1S/C36H40Cl3N5O5S/c1-7-35(3,4)21-12-13-27(24(15-21)36(5,6)8-2)49-18-29(46)41-23-11-9-10-20(14-23)33(47)42-32-31(50-19-28(40)45)34(48)44(43-32)30-25(38)16-22(37)17-26(30)39/h9-17,31H,7-8,18-19H2,1-6H3,(H2,40,45)(H,41,46)(H,42,43,47)