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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(p-tolylmethylsulfanyl)acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-[(4-methylphenyl)methylthio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[(4-methylbenzyl)thio]acetamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3OS/c1-4-25-11-13-26(14-12-25)21-9-10-22(19(3)15-21)24-23(27)17-28-16-20-7-5-18(2)6-8-20/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,24,27)/p+1