3-[[2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[2-[(2-chlorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[2-[(2-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-[(2-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-(2-chlorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium Formula: C23H27ClN3O2S+ MolecularWeight: 444.99738

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3Cl)C(=O)N2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3Cl)C(=O)N2

InChI

InChI=1S/C23H26ClN3O2S/c1-3-27(4-2)13-7-12-25-22(28)17-10-11-20-19(14-17)26-23(29)21(30-20)15-16-8-5-6-9-18(16)24/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H,25,28)(H,26,29)/p+1