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

Systemtic Name: butyl-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-butyl-methyl-ammonium CAS Name: butyl-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-butyl-methylazanium Traditional Name: 3-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propyl-butyl-methyl-ammonium Formula: C24H30N3O2S+ MolecularWeight: 424.5789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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