3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Openeye Name: 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide CAS Name: 3,5-dimethyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Traditional Name: 3,5-dimethyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperidine-1-carbothioamide Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C18H23N5O2S2/c1-13-10-14(2)12-23(11-13)18(26)21-15-4-6-16(7-5-15)27(24,25)22-17-19-8-3-9-20-17/h3-9,13-14H,10-12H2,1-2H3,(H,21,26)(H,19,20,22)