ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N6O4S2 MolecularWeight: 450.53508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H22N6O4S2/c1-2-28-18(25)24-12-10-23(11-13-24)17(29)21-14-4-6-15(7-5-14)30(26,27)22-16-19-8-3-9-20-16/h3-9H,2,10-13H2,1H3,(H,21,29)(H,19,20,22)