4-[(6-methylpyridin-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C19H25N5O2S2 MolecularWeight: 419.5641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H25N5O2S2/c1-15-4-2-5-17(21-15)14-23-10-3-11-24(13-12-23)19(27)22-16-6-8-18(9-7-16)28(20,25)26/h2,4-9H,3,10-14H2,1H3,(H,22,27)(H2,20,25,26)