2-[2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoylamino]ethyl-methyl-phenethyl-azanium

Systemtic Name: 2-[2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoylamino]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[[2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-1-oxoethyl]amino]ethyl-methyl-phenethylammonium IUPAC Name: 2-[[2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetyl]amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[[2-[2-(3-bromobenzylidene)-3-keto-1,4-benzothiazin-4-yl]acetyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C28H29BrN3O2S+ MolecularWeight: 551.51776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=CC=C4)Br)C2=O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=CC=C4)Br)C2=O

InChI

InChI=1S/C28H28BrN3O2S/c1-31(16-14-21-8-3-2-4-9-21)17-15-30-27(33)20-32-24-12-5-6-13-25(24)35-26(28(32)34)19-22-10-7-11-23(29)18-22/h2-13,18-19H,14-17,20H2,1H3,(H,30,33)/p+1