2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-cyclooctyl-hexanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-cyclooctyl-hexanamide Openeye Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide CAS Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide IUPAC Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide Traditional Name: N-cyclooctyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexanamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NC1CCCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H31N3O3S/c1-2-3-14-18(21(25)22-16-11-7-5-4-6-8-12-16)23-20-17-13-9-10-15-19(17)28(26,27)24-20/h9-10,13,15-16,18H,2-8,11-12,14H2,1H3,(H,22,25)(H,23,24)