N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(6-methylheptyl)butanediamide

Systemtic Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(6-methylheptyl)butanediamide Openeye Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(6-methylheptyl)butanediamide CAS Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-bis(6-methylheptyl)butanediamide IUPAC Name: N'-(1,3-benzothiazol-2-ylsulfanyl)-N,N'-bis(6-methylheptyl)butanediamide Traditional Name: N'-(1,3-benzothiazol-2-ylthio)-N,N'-bis(6-methylheptyl)succinamide Formula: C27H43N3O2S2 MolecularWeight: 505.77922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCNC(=O)CCC(=O)N(CCCCCC(C)C)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCCCCNC(=O)CCC(=O)N(CCCCCC(C)C)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C27H43N3O2S2/c1-21(2)13-7-5-11-19-28-25(31)17-18-26(32)30(20-12-6-8-14-22(3)4)34-27-29-23-15-9-10-16-24(23)33-27/h9-10,15-16,21-22H,5-8,11-14,17-20H2,1-4H3,(H,28,31)