2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS2/c1-24-10-12-25(13-11-24)18-8-4-2-6-16(18)22-20(26)14-27-15-21-23-17-7-3-5-9-19(17)28-21/h2-9H,10-15H2,1H3,(H,22,26)/p+1