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

Systemtic Name: tert-butyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Openeye Name: tert-butyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate CAS Name: N-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]carbamate Traditional Name: N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4S2/c1-16(2,3)26-15(23)21-20-14(27)19-11-5-7-12(8-6-11)28(24,25)22-13-17-9-4-10-18-13/h4-10H,1-3H3,(H,21,23)(H,17,18,22)(H2,19,20,27)