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

Systemtic Name: 2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dipropyl-azanium Openeye Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dipropyl-ammonium CAS Name: 2-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dipropylazanium Traditional Name: 2-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dipropyl-ammonium Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-3-13-27(14-4-2)15-12-25-23(28)19-10-11-21-20(17-19)26-24(29)22(30-21)16-18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,28)(H,26,29)/p+1