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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H20N6O3S/c25-16(23-10-12-24(13-11-23)18-20-7-3-8-21-18)6-9-19-17-14-4-1-2-5-15(14)28(26,27)22-17/h1-5,7-8H,6,9-13H2,(H,19,22)