ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[(cyclohexylamino)-sulfanylidenemethyl]sulfamoyl]phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(cyclohexylthiocarbamoylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C28H32N4O4S2 MolecularWeight: 552.70808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C)C3=CC=C(C=C3)S(=O)(=O)NC(=S)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)/C(=C/C2=CC=CC=C2)/C)C3=CC=C(C=C3)S(=O)(=O)NC(=S)NC4CCCCC4

InChI

InChI=1S/C28H32N4O4S2/c1-3-36-27(33)25-19-26(20(2)18-21-10-6-4-7-11-21)32(30-25)23-14-16-24(17-15-23)38(34,35)31-28(37)29-22-12-8-5-9-13-22/h4,6-7,10-11,14-19,22H,3,5,8-9,12-13H2,1-2H3,(H2,29,31,37)/b20-18+