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

Systemtic Name: dibutyl-[2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl]azanium Openeye Name: dibutyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]ammonium CAS Name: dibutyl-[2-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: dibutyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]azanium Traditional Name: dibutyl-[2-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]ammonium Formula: C26H34N3O2S+ MolecularWeight: 452.63206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCC[NH+](CCCC)CCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C26H33N3O2S/c1-3-5-16-29(17-6-4-2)18-15-27-25(30)21-13-11-20(12-14-21)19-24-26(31)28-22-9-7-8-10-23(22)32-24/h7-14,19H,3-6,15-18H2,1-2H3,(H,27,30)(H,28,31)/p+1