N-(3-methylsulfanylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C16H20N4OS2/c1-22-14-4-2-3-13(11-14)18-15(21)12-19-6-8-20(9-7-19)16-17-5-10-23-16/h2-5,10-11H,6-9,12H2,1H3,(H,18,21)/p+1