butyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: butyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: butyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C22H23N5O4S2/c1-2-3-15-31-20(28)16-5-7-17(8-6-16)25-22(32)26-18-9-11-19(12-10-18)33(29,30)27-21-23-13-4-14-24-21/h4-14H,2-3,15H2,1H3,(H,23,24,27)(H2,25,26,32)