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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H21N5O2S2/c23-26(24,21-16-18-10-5-11-19-16)15-8-6-14(7-9-15)20-17(25)22-12-3-1-2-4-13-22/h5-11H,1-4,12-13H2,(H,20,25)(H,18,19,21)