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

Systemtic Name: 1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazol-3-one Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5O3S/c24-17-15-5-1-2-6-16(15)27(25,26)23(17)10-4-9-21-11-13-22(14-12-21)18-19-7-3-8-20-18/h1-3,5-8H,4,9-14H2