(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C20H17N5O3S3 MolecularWeight: 471.57568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N5O3S3/c1-13(29-20-24-16-5-2-3-6-17(16)30-20)18(26)23-14-7-9-15(10-8-14)31(27,28)25-19-21-11-4-12-22-19/h2-13H,1H3,(H,23,26)(H,21,22,25)/t13-/m1/s1