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

Systemtic Name: 2-[[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dipropyl-azanium Openeye Name: 2-[[2-[(2-fluorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dipropyl-ammonium CAS Name: 2-[[[2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[[2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dipropylazanium Traditional Name: 2-[[2-(2-fluorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dipropyl-ammonium Formula: C24H29FN3O2S+ MolecularWeight: 442.569363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3F)C(=O)N2

Isomeric SMILES

CCC[NH+](CCC)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3F)C(=O)N2

InChI

InChI=1S/C24H28FN3O2S/c1-3-12-28(13-4-2)14-11-26-23(29)18-9-10-21-20(15-18)27-24(30)22(31-21)16-17-7-5-6-8-19(17)25/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,26,29)(H,27,30)/p+1