2-[(7-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dioctadecyl-butanediamide

Systemtic Name: 2-[(7-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dioctadecyl-butanediamide Openeye Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dioctadecyl-butanediamide CAS Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)thio]-N,N'-dioctadecylbutanediamide IUPAC Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dioctadecylbutanediamide Traditional Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)thio]-N,N'-distearyl-succinamide Formula: C47H82BrN3O2S2 MolecularWeight: 865.20688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)NCCCCCCCCCCCCCCCCCC)SC1=NC2=C(S1)C(=CC=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)NCCCCCCCCCCCCCCCCCC)SC1=NC2=C(S1)C(=CC=C2)Br

InChI

InChI=1S/C47H82BrN3O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-49-44(52)40-43(54-47-51-42-37-35-36-41(48)45(42)55-47)46(53)50-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,43H,3-34,38-40H2,1-2H3,(H,49,52)(H,50,53)