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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-chlorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-chlorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C24H27ClN3O2S+ MolecularWeight: 457.00808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

InChI

InChI=1S/C24H26ClN3O2S/c25-19-7-5-6-17(14-19)15-22-24(30)27-20-16-18(8-9-21(20)31-22)23(29)26-10-13-28-11-3-1-2-4-12-28/h5-9,14-16H,1-4,10-13H2,(H,26,29)(H,27,30)/p+1