2-[4-[4-(5-chloranylpyrimidin-2-yl)piperazin-1-yl]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=C(C=N4)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=C(C=N4)Cl

InChI

InChI=1S/C19H22ClN5O3S/c20-15-13-21-19(22-14-15)24-11-9-23(10-12-24)7-3-4-8-25-18(26)16-5-1-2-6-17(16)29(25,27)28/h1-2,5-6,13-14H,3-4,7-12H2