azepan-1-yl-[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]methanone Openeye Name: azepan-1-yl-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone CAS Name: 1-azepanyl-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl]methanone Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N3O3S/c24-20(23-13-5-1-2-6-14-23)15-9-11-16(12-10-15)21-19-17-7-3-4-8-18(17)27(25,26)22-19/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,22)