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

Systemtic Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(2-ethylhexyl)butanediamide Openeye Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(2-ethylhexyl)butanediamide CAS Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-bis(2-ethylhexyl)butanediamide IUPAC Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(2-ethylhexyl)butanediamide Traditional Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-bis(2-ethylhexyl)succinamide Formula: C27H43N3O2S2 MolecularWeight: 505.77922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCC(=O)N(CC(CC)CCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCC(CC)CNC(=O)CCC(=O)N(CC(CC)CCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C27H43N3O2S2/c1-5-9-13-21(7-3)19-28-25(31)17-18-26(32)30(20-22(8-4)14-10-6-2)34-27-29-23-15-11-12-16-24(23)33-27/h11-12,15-16,21-22H,5-10,13-14,17-20H2,1-4H3,(H,28,31)