N-[2-(azepan-1-ium-1-yl)ethyl]-2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)acetamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

InChI=1S/C25H29N3O2S/c29-24(26-14-17-27-15-8-1-2-9-16-27)19-28-21-12-6-7-13-22(21)31-23(25(28)30)18-20-10-4-3-5-11-20/h3-7,10-13,18H,1-2,8-9,14-17,19H2,(H,26,29)/p+1