4-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-(phenylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-(phenylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H20N4O3S2/c25-19(8-4-15-28-17-6-2-1-3-7-17)23-16-9-11-18(12-10-16)29(26,27)24-20-21-13-5-14-22-20/h1-3,5-7,9-14H,4,8,15H2,(H,23,25)(H,21,22,24)