2-(1,3-benzothiazol-2-ylsulfanyl)-N,N,N',N'-tetraoctyl-butanediamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N,N,N',N'-tetraoctyl-butanediamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N,N,N',N'-tetraoctyl-butanediamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N,N,N',N'-tetraoctylbutanediamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N,N,N',N'-tetraoctylbutanediamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N,N,N',N'-tetraoctyl-succinamide Formula: C43H75N3O2S2 MolecularWeight: 730.2045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=O)CC(C(=O)N(CCCCCCCC)CCCCCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=O)CC(C(=O)N(CCCCCCCC)CCCCCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C43H75N3O2S2/c1-5-9-13-17-21-27-33-45(34-28-22-18-14-10-6-2)41(47)37-40(50-43-44-38-31-25-26-32-39(38)49-43)42(48)46(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h25-26,31-32,40H,5-24,27-30,33-37H2,1-4H3