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

Systemtic Name: cyclohexyl-methyl-[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-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-methyl-[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-cyclohexyl-methylazanium Traditional Name: 3-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-cyclohexyl-methyl-ammonium Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)C4CCCCC4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)C4CCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-29(21-11-6-3-7-12-21)16-8-15-27-25(30)20-13-14-23-22(18-20)28-26(31)24(32-23)17-19-9-4-2-5-10-19/h2,4-5,9-10,13-14,17-18,21H,3,6-8,11-12,15-16H2,1H3,(H,27,30)(H,28,31)/p+1