4-methyl-2-methylsulfanyl-5-[2-[4-[4-(phenylcarbonyl)piperidin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-methyl-2-methylsulfanyl-5-[2-[4-[4-(phenylcarbonyl)piperidin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one Openeye Name: 5-[2-[4-(4-benzoyl-1-piperidyl)butoxy]phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one CAS Name: 5-[2-[4-(4-benzoyl-1-piperidinyl)butoxy]phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one IUPAC Name: 5-[2-[4-(4-benzoylpiperidin-1-yl)butoxy]phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Traditional Name: 5-[2-[4-(4-benzoylpiperidino)butoxy]phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one Formula: C32H36N2O3S2 MolecularWeight: 560.76984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(SC2=CC=CC(=C21)C3=CC=CC=C3OCCCCN4CCC(CC4)C(=O)C5=CC=CC=C5)SC

Isomeric SMILES

CN1C(=O)C(SC2=CC=CC(=C21)C3=CC=CC=C3OCCCCN4CCC(CC4)C(=O)C5=CC=CC=C5)SC

InChI

InChI=1S/C32H36N2O3S2/c1-33-29-26(14-10-16-28(29)39-32(38-2)31(33)36)25-13-6-7-15-27(25)37-22-9-8-19-34-20-17-24(18-21-34)30(35)23-11-4-3-5-12-23/h3-7,10-16,24,32H,8-9,17-22H2,1-2H3