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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2-fluorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(2-fluorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C25H29FN3O2S+ MolecularWeight: 454.580063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O2S/c26-20-9-4-3-8-18(20)17-23-25(31)28-21-16-19(10-11-22(21)32-23)24(30)27-12-7-15-29-13-5-1-2-6-14-29/h3-4,8-11,16-17H,1-2,5-7,12-15H2,(H,27,30)(H,28,31)/p+1