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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-benzal-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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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)C(=O)N3

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S/c28-23(25-12-15-27-13-6-1-2-7-14-27)19-10-11-21-20(17-19)26-24(29)22(30-21)16-18-8-4-3-5-9-18/h3-5,8-11,16-17H,1-2,6-7,12-15H2,(H,25,28)(H,26,29)/p+1