N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

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