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

Systemtic Name: 5-[4-(4-bromanylbutoxy)phenyl]-2-[3-(dimethylamino)propyl]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 5-[4-(4-bromobutoxy)phenyl]-2-[3-(dimethylamino)propyl]-4-methyl-1,4-benzothiazin-3-one CAS Name: 5-[4-(4-bromobutoxy)phenyl]-2-[3-(dimethylamino)propyl]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 5-[4-(4-bromobutoxy)phenyl]-2-[3-(dimethylamino)propyl]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 5-[4-(4-bromobutoxy)phenyl]-2-[3-(dimethylamino)propyl]-4-methyl-1,4-benzothiazin-3-one Formula: C24H31BrN2O2S MolecularWeight: 491.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O2S/c1-26(2)16-7-10-22-24(28)27(3)23-20(8-6-9-21(23)30-22)18-11-13-19(14-12-18)29-17-5-4-15-25/h6,8-9,11-14,22H,4-5,7,10,15-17H2,1-3H3