N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(phenylthio)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=CC=C3)C

Isomeric SMILES

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

InChI

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