ethyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 3-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4S2/c1-2-29-18(26)14-5-3-6-16(13-14)24-20(30)23-15-7-9-17(10-8-15)31(27,28)25-19-21-11-4-12-22-19/h3-13H,2H2,1H3,(H,21,22,25)(H2,23,24,30)