2-[4-[4-(4-methylpyridin-2-yl)piperazin-1-yl]butyl]-4H-1,4-benzothiazine-3-thione

Systemtic Name: 2-[4-[4-(4-methylpyridin-2-yl)piperazin-1-yl]butyl]-4H-1,4-benzothiazine-3-thione Openeye Name: 2-[4-[4-(4-methyl-2-pyridyl)piperazin-1-yl]butyl]-4H-1,4-benzothiazine-3-thione CAS Name: 2-[4-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]butyl]-4H-1,4-benzothiazine-3-thione IUPAC Name: 2-[4-[4-(4-methylpyridin-2-yl)piperazin-1-yl]butyl]-4H-1,4-benzothiazine-3-thione Traditional Name: 2-[4-[4-(4-methyl-2-pyridyl)piperazino]butyl]-4H-1,4-benzothiazine-3-thione Formula: C22H28N4S2 MolecularWeight: 412.61452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)CCCCC3C(=S)NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)CCCCC3C(=S)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N4S2/c1-17-9-10-23-21(16-17)26-14-12-25(13-15-26)11-5-4-8-20-22(27)24-18-6-2-3-7-19(18)28-20/h2-3,6-7,9-10,16,20H,4-5,8,11-15H2,1H3,(H,24,27)