1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanone CAS Name: 1-(1-azepanyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethanone Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H19N3O3S/c19-14(18-9-5-1-2-6-10-18)11-16-15-12-7-3-4-8-13(12)22(20,21)17-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17)