2-phenyl-6-[(5-phenyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid

Systemtic Name: 2-phenyl-6-[(5-phenyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid Openeye Name: 2-phenyl-6-[(5-phenyl-5-sulfo-hexyl)carbamothioylamino]hexane-2-sulfonic acid CAS Name: 2-phenyl-6-[[[(5-phenyl-5-sulfohexyl)amino]-sulfanylidenemethyl]amino]-2-hexanesulfonic acid IUPAC Name: 2-phenyl-6-[(5-phenyl-5-sulfohexyl)carbamothioylamino]hexane-2-sulfonic acid Traditional Name: 2-phenyl-6-[(5-phenyl-5-sulfo-hexyl)thiocarbamoylamino]hexane-2-sulfonic acid Formula: C25H36N2O6S3 MolecularWeight: 556.75814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C1=CC=CC=C1)S(=O)(=O)O)(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C25H36N2O6S3/c1-24(35(28,29)30,21-13-5-3-6-14-21)17-9-11-19-26-23(34)27-20-12-10-18-25(2,36(31,32)33)22-15-7-4-8-16-22/h3-8,13-16H,9-12,17-20H2,1-2H3,(H2,26,27,34)(H,28,29,30)(H,31,32,33)