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

Systemtic Name: diethyl-[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-diethyl-ammonium CAS Name: diethyl-[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-diethylazanium Traditional Name: 2-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-diethyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-3-25(4-2)13-12-23-21(26)17-10-11-19-18(15-17)24-22(27)20(28-19)14-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/p+1