N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-ethyl-1-piperazine-1,4-diiumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C25H32N4O2S+2 MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C25H30N4O2S/c1-2-28-13-15-29(16-14-28)12-6-11-26-24(30)20-9-10-22-21(18-20)27-25(31)23(32-22)17-19-7-4-3-5-8-19/h3-5,7-10,17-18H,2,6,11-16H2,1H3,(H,26,30)(H,27,31)/p+2