2-[(6-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-di(nonyl)butanediamide

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-di(nonyl)butanediamide Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-di(nonyl)butanediamide CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)thio]-N,N'-di(nonyl)butanediamide IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-di(nonyl)butanediamide Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)thio]-N,N'-di(nonyl)succinamide Formula: C29H46ClN3O2S2 MolecularWeight: 568.27744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)CC(C(=O)NCCCCCCCCC)SC1=NC2=C(S1)C=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCNC(=O)CC(C(=O)NCCCCCCCCC)SC1=NC2=C(S1)C=C(C=C2)Cl

InChI

InChI=1S/C29H46ClN3O2S2/c1-3-5-7-9-11-13-15-19-31-27(34)22-26(28(35)32-20-16-14-12-10-8-6-4-2)37-29-33-24-18-17-23(30)21-25(24)36-29/h17-18,21,26H,3-16,19-20,22H2,1-2H3,(H,31,34)(H,32,35)