2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C21H26N4OS2+2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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