dibutyl-[2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium

Systemtic Name: dibutyl-[2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dibutyl-ammonium CAS Name: dibutyl-[2-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dibutylazanium Traditional Name: 2-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dibutyl-ammonium Formula: C26H34N3O2S+ MolecularWeight: 452.63206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2

Isomeric SMILES

CCCC[NH+](CCCC)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2

InChI

InChI=1S/C26H33N3O2S/c1-3-5-15-29(16-6-4-2)17-14-27-25(30)21-12-13-23-22(19-21)28-26(31)24(32-23)18-20-10-8-7-9-11-20/h7-13,18-19H,3-6,14-17H2,1-2H3,(H,27,30)(H,28,31)/p+1