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

Systemtic Name: 5-chloranyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Openeye Name: 5-chloro-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one CAS Name: 5-chloro-1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one IUPAC Name: 5-chloro-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Traditional Name: 5-chloro-1,1-diketo-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,2-benzothiazol-3-one Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C19H22ClN5O3S/c20-15-4-5-17-16(14-15)18(26)25(29(17,27)28)9-2-1-8-23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3-7,14H,1-2,8-13H2