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

Systemtic Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

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

InChI

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