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

Systemtic Name: 3-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-dipropyl-ammonium CAS Name: 3-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]propyl-dipropylammonium IUPAC Name: 3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-dipropylazanium Traditional Name: 3-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-dipropyl-ammonium Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-3-14-28(15-4-2)16-8-13-26-24(29)20-11-12-22-21(18-20)27-25(30)23(31-22)17-19-9-6-5-7-10-19/h5-7,9-12,17-18H,3-4,8,13-16H2,1-2H3,(H,26,29)(H,27,30)/p+1