4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione

Systemtic Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione Openeye Name: 4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzothiazepine-3,5-dione CAS Name: 4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzothiazepine-3,5-dione IUPAC Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione Traditional Name: 4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzothiazepine-3,5-quinone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C3C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C3C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H26N4O2S/c27-21-17-29-19-8-2-1-7-18(19)22(28)26(21)12-6-5-11-24-13-15-25(16-14-24)20-9-3-4-10-23-20/h1-4,7-10H,5-6,11-17H2