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

Systemtic Name: 3-[2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoylamino]propyl-dipropyl-azanium Openeye Name: 3-[[2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-1-oxoethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]propyl-dipropylazanium Traditional Name: 3-[[2-[2-(3-bromobenzylidene)-3-keto-1,4-benzothiazin-4-yl]acetyl]amino]propyl-dipropyl-ammonium Formula: C26H33BrN3O2S+ MolecularWeight: 531.52812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O2S/c1-3-14-29(15-4-2)16-8-13-28-25(31)19-30-22-11-5-6-12-23(22)33-24(26(30)32)18-20-9-7-10-21(27)17-20/h5-7,9-12,17-18H,3-4,8,13-16,19H2,1-2H3,(H,28,31)/p+1