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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H19N5O3S3/c27-19(7-3-14-30-21-25-17-5-1-2-6-18(17)31-21)24-15-8-10-16(11-9-15)32(28,29)26-20-22-12-4-13-23-20/h1-2,4-6,8-13H,3,7,14H2,(H,24,27)(H,22,23,26)