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

Systemtic Name: 3-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl]-isopropyl-ammonium CAS Name: 3-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propyl]-propan-2-ylazanium Traditional Name: 3-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-benzyl-isopropyl-ammonium Formula: C29H32N3O2S+ MolecularWeight: 486.64828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-21(2)32(20-23-12-7-4-8-13-23)17-9-16-30-28(33)24-14-15-26-25(19-24)31-29(34)27(35-26)18-22-10-5-3-6-11-22/h3-8,10-15,18-19,21H,9,16-17,20H2,1-2H3,(H,30,33)(H,31,34)/p+1