2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylthio]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylthio]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-18-25-22(26-30-18)17-31-21-10-6-5-9-20(21)23(29)24-11-12-27-13-15-28(16-14-27)19-7-3-2-4-8-19/h2-10H,11-17H2,1H3,(H,24,29)/p+1