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

Systemtic Name: 3-[[2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl-ethyl-propyl-azanium Openeye Name: 3-[[2-[(2-chlorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-ethyl-propyl-ammonium CAS Name: 3-[[[2-[(2-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-ethyl-propylammonium IUPAC Name: 3-[[2-[(2-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-ethyl-propylazanium Traditional Name: 3-[[2-(2-chlorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carbonyl]amino]propyl-ethyl-propyl-ammonium Formula: C24H29ClN3O2S+ MolecularWeight: 459.02396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2S/c1-3-13-28(4-2)14-7-12-26-23(29)18-10-11-21-20(15-18)27-24(30)22(31-21)16-17-8-5-6-9-19(17)25/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3,(H,26,29)(H,27,30)/p+1