5-[4-(4-bromanylbutoxy)phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one

Systemtic Name: 5-[4-(4-bromanylbutoxy)phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Openeye Name: 5-[4-(4-bromobutoxy)phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one CAS Name: 5-[4-(4-bromobutoxy)phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one IUPAC Name: 5-[4-(4-bromobutoxy)phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Traditional Name: 5-[4-(4-bromobutoxy)phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one Formula: C20H22BrNO2S2 MolecularWeight: 452.42818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(SC2=CC=CC(=C21)C3=CC=C(C=C3)OCCCCBr)SC

Isomeric SMILES

CN1C(=O)C(SC2=CC=CC(=C21)C3=CC=C(C=C3)OCCCCBr)SC

InChI

InChI=1S/C20H22BrNO2S2/c1-22-18-16(6-5-7-17(18)26-20(25-2)19(22)23)14-8-10-15(11-9-14)24-13-4-3-12-21/h5-11,20H,3-4,12-13H2,1-2H3