4-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-1,4-benzothiazin-3-one Openeye Name: 4-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]-1,4-benzothiazin-3-one CAS Name: 4-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-1,4-benzothiazin-3-one Traditional Name: 4-[4-[4-(1-isoquinolyl)piperazino]butyl]-1,4-benzothiazin-3-one Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C32)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C32)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H28N4OS/c30-24-19-31-23-10-4-3-9-22(23)29(24)14-6-5-13-27-15-17-28(18-16-27)25-21-8-2-1-7-20(21)11-12-26-25/h1-4,7-12H,5-6,13-19H2