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

Systemtic Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-dioctadecyl-butanediamide Openeye Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-dioctadecyl-butanediamide CAS Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-dioctadecylbutanediamide IUPAC Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-dioctadecylbutanediamide Traditional Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-distearyl-succinamide Formula: C47H83N3O2S2 MolecularWeight: 786.31082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCCCCCCCCCCCCCCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCCCCCCCCCCCCCCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C47H83N3O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-48-45(51)39-40-46(52)50(54-47-49-43-37-33-34-38-44(43)53-47)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-42H2,1-2H3,(H,48,51)