2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]hexan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-hexanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-pyridyl)piperazino]hexan-1-one Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H27N5O3S/c1-2-3-9-18(24-21-17-8-4-5-10-19(17)31(29,30)25-21)22(28)27-15-13-26(14-16-27)20-11-6-7-12-23-20/h4-8,10-12,18H,2-3,9,13-16H2,1H3,(H,24,25)