4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C17H23N5O2S3 MolecularWeight: 425.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H23N5O2S3/c1-13-19-15(12-26-13)11-21-7-2-8-22(10-9-21)17(25)20-14-3-5-16(6-4-14)27(18,23)24/h3-6,12H,2,7-11H2,1H3,(H,20,25)(H2,18,23,24)