N-(4-sulfamoylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(4-sulfamoylphenyl)azepane-1-carbothioamide Openeye Name: N-(4-sulfamoylphenyl)azepane-1-carbothioamide CAS Name: N-(4-sulfamoylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(4-sulfamoylphenyl)azepane-1-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)azepane-1-carbothioamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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