2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: 2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Openeye Name: 2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide CAS Name: 2-methyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Traditional Name: 2-methyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperidine-1-carbothioamide Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1CCCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H21N5O2S2/c1-13-5-2-3-12-22(13)17(25)20-14-6-8-15(9-7-14)26(23,24)21-16-18-10-4-11-19-16/h4,6-11,13H,2-3,5,12H2,1H3,(H,20,25)(H,18,19,21)