3-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl-dipropylazanium Traditional Name: 3-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]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=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

InChI

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