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

Systemtic Name: diethyl-[3-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl]azanium Openeye Name: 3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-diethyl-ammonium CAS Name: diethyl-[3-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]propyl]ammonium IUPAC Name: 3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-diethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-3-26(4-2)14-8-13-24-22(27)18-11-12-20-19(16-18)25-23(28)21(29-20)15-17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3,(H,24,27)(H,25,28)/p+1