2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)octanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)octanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)octanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2,4,6-trimethylphenyl)octanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)octanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-mesityl-caprylamide Formula: C24H30N2OS2 MolecularWeight: 426.6378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=C(C=C(C=C1C)C)C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCC(C(=O)NC1=C(C=C(C=C1C)C)C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H30N2OS2/c1-5-6-7-8-13-21(29-24-25-19-11-9-10-12-20(19)28-24)23(27)26-22-17(3)14-16(2)15-18(22)4/h9-12,14-15,21H,5-8,13H2,1-4H3,(H,26,27)