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

Systemtic Name: methyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Openeye Name: methyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate CAS Name: N-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Traditional Name: N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C13H14N6O4S2 MolecularWeight: 382.41806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O4S2/c1-23-13(20)18-17-12(24)16-9-3-5-10(6-4-9)25(21,22)19-11-14-7-2-8-15-11/h2-8H,1H3,(H,18,20)(H,14,15,19)(H2,16,17,24)