2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C16H17N7O3S3 MolecularWeight: 451.54628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NN=C(S3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NN=C(S3)N

InChI

InChI=1S/C16H17N7O3S3/c1-2-12(27-16-22-21-14(17)28-16)13(24)20-10-4-6-11(7-5-10)29(25,26)23-15-18-8-3-9-19-15/h3-9,12H,2H2,1H3,(H2,17,21)(H,20,24)(H,18,19,23)