4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H25N5O3S2/c1-13-17(14(2)26-21-13)12-22-8-3-9-23(11-10-22)18(27)20-15-4-6-16(7-5-15)28(19,24)25/h4-7H,3,8-12H2,1-2H3,(H,20,27)(H2,19,24,25)