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

Systemtic Name: diethyl-[3-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-3-26(4-2)15-7-14-24-22(27)18-12-10-17(11-13-18)16-21-23(28)25-19-8-5-6-9-20(19)29-21/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,24,27)(H,25,28)/p+1