3-(azepan-1-ylsulfonylamino)benzenecarbothioamide

Systemtic Name: 3-(azepan-1-ylsulfonylamino)benzenecarbothioamide Openeye Name: 3-(azepan-1-ylsulfonylamino)benzenecarbothioamide CAS Name: 3-(1-azepanylsulfonylamino)benzenecarbothioamide IUPAC Name: 3-(azepan-1-ylsulfonylamino)benzenecarbothioamide Traditional Name: 3-(azepan-1-ylsulfonylamino)thiobenzamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H19N3O2S2/c14-13(19)11-6-5-7-12(10-11)15-20(17,18)16-8-3-1-2-4-9-16/h5-7,10,15H,1-4,8-9H2,(H2,14,19)