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

Systemtic Name: N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-cyclohexyl-1-piperazine-1,4-diiumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C29H38N4O2S+2 MolecularWeight: 506.70262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC[NH+](CC2)CCCNC(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5)C(=O)N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC[NH+](CC2)CCCNC(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5)C(=O)N4

InChI

InChI=1S/C29H36N4O2S/c34-28(30-14-7-15-32-16-18-33(19-17-32)24-10-5-2-6-11-24)23-12-13-26-25(21-23)31-29(35)27(36-26)20-22-8-3-1-4-9-22/h1,3-4,8-9,12-13,20-21,24H,2,5-7,10-11,14-19H2,(H,30,34)(H,31,35)/p+2