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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(4-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-pyridin-4-yl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-[4-(4-pyridyl)piperazino]propan-1-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N5O3S/c25-18(24-13-11-23(12-14-24)15-5-8-20-9-6-15)7-10-21-19-16-3-1-2-4-17(16)28(26,27)22-19/h1-6,8-9H,7,10-14H2,(H,21,22)