5-nitro-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one

Systemtic Name: 5-nitro-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Openeye Name: 5-nitro-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one CAS Name: 5-nitro-1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one IUPAC Name: 5-nitro-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-5-nitro-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,2-benzothiazol-3-one Formula: C19H22N6O5S MolecularWeight: 446.48018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O5S/c26-18-16-14-15(25(27)28)4-5-17(16)31(29,30)24(18)9-2-1-8-22-10-12-23(13-11-22)19-20-6-3-7-21-19/h3-7,14H,1-2,8-13H2