N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylthio)acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3OS/c1-3-23-12-14-24(15-13-23)19-8-6-18(7-9-19)22-21(25)16-26-20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1