2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H27N4OS2+ MolecularWeight: 475.64878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N4OS2/c31-25(19-32-26-28-23-8-4-5-9-24(23)33-26)27-21-10-12-22(13-11-21)30-16-14-29(15-17-30)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,31)/p+1