2-[4-[8-(methylsulfonylamino)octyl]phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-[8-(methylsulfonylamino)octyl]phenyl]benzenecarbothioamide Openeye Name: 2-[4-[8-(methanesulfonamido)octyl]phenyl]benzenecarbothioamide CAS Name: 2-[4-[8-(methanesulfonamido)octyl]phenyl]benzenecarbothioamide IUPAC Name: 2-[4-[8-(methanesulfonamido)octyl]phenyl]benzenecarbothioamide Traditional Name: 2-[4-[8-(methanesulfonamido)octyl]phenyl]thiobenzamide Formula: C22H30N2O2S2 MolecularWeight: 418.6158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

CS(=O)(=O)NCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C22H30N2O2S2/c1-28(25,26)24-17-9-5-3-2-4-6-10-18-13-15-19(16-14-18)20-11-7-8-12-21(20)22(23)27/h7-8,11-16,24H,2-6,9-10,17H2,1H3,(H2,23,27)