N-[3-(dimethylsulfamoyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H22N6O2S2 MolecularWeight: 406.52558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O2S2/c1-21(2)27(24,25)15-6-3-5-14(13-15)20-17(26)23-11-9-22(10-12-23)16-18-7-4-8-19-16/h3-8,13H,9-12H2,1-2H3,(H,20,26)