4-[(1-methylimidazol-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C17H24N6O2S2 MolecularWeight: 408.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H24N6O2S2/c1-21-10-7-19-16(21)13-22-8-2-9-23(12-11-22)17(26)20-14-3-5-15(6-4-14)27(18,24)25/h3-7,10H,2,8-9,11-13H2,1H3,(H,20,26)(H2,18,24,25)