N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H24N4OS2+2 MolecularWeight: 388.55006

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H22N4OS2/c20-7-13-26-18-6-2-1-5-17(18)21-19(24)15-23-10-8-22(9-11-23)14-16-4-3-12-25-16/h1-6,12H,8-11,13-15H2,(H,21,24)/p+2