1-[2-chloranyl-5-[3-ethyl-2-(2-methylpropylimino)-4-oxidanyl-1,3-thiazolidin-4-yl]phenyl]sulfonyl-3-cyclohexyl-urea hydrobromide

Systemtic Name: 1-[2-chloranyl-5-[3-ethyl-2-(2-methylpropylimino)-4-oxidanyl-1,3-thiazolidin-4-yl]phenyl]sulfonyl-3-cyclohexyl-urea hydrobromide Openeye Name: 1-[2-chloro-5-(3-ethyl-4-hydroxy-2-isobutylimino-thiazolidin-4-yl)phenyl]sulfonyl-3-cyclohexyl-urea hydrobromide CAS Name: 1-[2-chloro-5-[3-ethyl-4-hydroxy-2-(2-methylpropylimino)-4-thiazolidinyl]phenyl]sulfonyl-3-cyclohexylurea hydrobromide IUPAC Name: 1-[2-chloro-5-[3-ethyl-4-hydroxy-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]phenyl]sulfonyl-3-cyclohexylurea hydrobromide Traditional Name: 1-[2-chloro-5-(3-ethyl-4-hydroxy-2-isobutylimino-thiazolidin-4-yl)phenyl]sulfonyl-3-cyclohexyl-urea hydrobromide Formula: C22H34BrClN4O4S2 MolecularWeight: 598.01676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NCC(C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)NC(=O)NC3CCCCC3)O.Br

Isomeric SMILES

CCN1C(=NCC(C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)NC(=O)NC3CCCCC3)O.Br

InChI

InChI=1S/C22H33ClN4O4S2.BrH/c1-4-27-21(24-13-15(2)3)32-14-22(27,29)16-10-11-18(23)19(12-16)33(30,31)26-20(28)25-17-8-6-5-7-9-17;/h10-12,15,17,29H,4-9,13-14H2,1-3H3,(H2,25,26,28);1H