N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2-fluorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-fluorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C24H27FN3O2S+ MolecularWeight: 440.553483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

InChI

InChI=1S/C24H26FN3O2S/c25-19-8-4-3-7-17(19)16-22-24(30)27-20-15-18(9-10-21(20)31-22)23(29)26-11-14-28-12-5-1-2-6-13-28/h3-4,7-10,15-16H,1-2,5-6,11-14H2,(H,26,29)(H,27,30)/p+1