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

Systemtic Name: 5-nitro-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Openeye Name: 5-nitro-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one CAS Name: 5-nitro-1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-3-one IUPAC Name: 5-nitro-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-5-nitro-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazol-3-one Formula: C18H20N6O5S MolecularWeight: 432.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O5S/c25-17-15-13-14(24(26)27)3-4-16(15)30(28,29)23(17)8-2-7-21-9-11-22(12-10-21)18-19-5-1-6-20-18/h1,3-6,13H,2,7-12H2