ethyl 5-[[4-[4-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]phenyl]sulfonylphenyl]carbamothioylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-[4-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]phenyl]sulfonylphenyl]carbamothioylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-[4-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]phenyl]sulfonylphenyl]carbamothioylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[[4-[4-[[[(4-ethoxycarbonyl-2-phenyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylanilino]-sulfanylidenemethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[4-[(4-ethoxycarbonyl-2-phenylpyrazol-3-yl)carbamothioylamino]phenyl]sulfonylphenyl]carbamothioylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[4-[4-[(4-carbethoxy-2-phenyl-pyrazol-3-yl)thiocarbamoylamino]phenyl]sulfonylphenyl]thiocarbamoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C38H34N8O6S3 MolecularWeight: 794.92156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=C(C=NN5C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=C(C=NN5C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C38H34N8O6S3/c1-3-51-35(47)31-23-39-45(27-11-7-5-8-12-27)33(31)43-37(53)41-25-15-19-29(20-16-25)55(49,50)30-21-17-26(18-22-30)42-38(54)44-34-32(36(48)52-4-2)24-40-46(34)28-13-9-6-10-14-28/h5-24H,3-4H2,1-2H3,(H2,41,43,53)(H2,42,44,54)