(3S)-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: (3S)-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Openeye Name: (3S)-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide CAS Name: (3S)-3-methyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: (3S)-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-1-carbothioamide Traditional Name: (3S)-3-methyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperidine-1-carbothioamide Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H21N5O2S2/c1-13-4-2-11-22(12-13)17(25)20-14-5-7-15(8-6-14)26(23,24)21-16-18-9-3-10-19-16/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,25)(H,18,19,21)/t13-/m0/s1