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

Systemtic Name: N-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazine-1,4-diiumyl)ethyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C24H30N4O2S+2 MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-2-27-12-14-28(15-13-27)11-10-25-23(29)19-8-9-21-20(17-19)26-24(30)22(31-21)16-18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,25,29)(H,26,30)/p+2