3-[2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoylamino]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoylamino]propyl-diethyl-azanium Openeye Name: 3-[[2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-1-oxoethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-[2-(3-bromobenzylidene)-3-keto-1,4-benzothiazin-4-yl]acetyl]amino]propyl-diethyl-ammonium Formula: C24H29BrN3O2S+ MolecularWeight: 503.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC(=CC=C3)Br)C1=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC(=CC=C3)Br)C1=O

InChI

InChI=1S/C24H28BrN3O2S/c1-3-27(4-2)14-8-13-26-23(29)17-28-20-11-5-6-12-21(20)31-22(24(28)30)16-18-9-7-10-19(25)15-18/h5-7,9-12,15-16H,3-4,8,13-14,17H2,1-2H3,(H,26,29)/p+1