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

Systemtic Name: ethyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Openeye Name: ethyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate CAS Name: N-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Traditional Name: N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]carbamic acid ethyl ester Formula: C14H16N6O4S2 MolecularWeight: 396.44464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

InChI

InChI=1S/C14H16N6O4S2/c1-2-24-14(21)19-18-13(25)17-10-4-6-11(7-5-10)26(22,23)20-12-15-8-3-9-16-12/h3-9H,2H2,1H3,(H,19,21)(H,15,16,20)(H2,17,18,25)