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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC[C@H]1CCCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H23N5O2S2/c1-2-15-6-3-4-13-23(15)18(26)21-14-7-9-16(10-8-14)27(24,25)22-17-19-11-5-12-20-17/h5,7-12,15H,2-4,6,13H2,1H3,(H,21,26)(H,19,20,22)/t15-/m0/s1