(1Z,2S)-2-methyl-N-[3-(4-methylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]-3-(phenylcarbonylsulfanyl)propanimidate

Systemtic Name: (1Z,2S)-2-methyl-N-[3-(4-methylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]-3-(phenylcarbonylsulfanyl)propanimidate Openeye Name: (1Z,2S)-3-benzoylsulfanyl-2-methyl-N-[3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-5-yl]propanimidate CAS Name: (1Z,2S)-3-(benzoylthio)-2-methyl-N-[3-(4-methyl-1-piperazinyl)-5-oxadiazol-3-iumyl]propanimidate IUPAC Name: (1Z,2S)-3-benzoylsulfanyl-2-methyl-N-[3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-5-yl]propanimidate Traditional Name: (1Z,2S)-3-(benzoylthio)-2-methyl-N-[3-(4-methylpiperazino)oxadiazol-3-ium-5-yl]propionimidate Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=NC2=C[N+](=NO2)N3CCN(CC3)C)[O-]

Isomeric SMILES

C[C@H](CSC(=O)C1=CC=CC=C1)/C(=N/C2=C[N+](=NO2)N3CCN(CC3)C)/[O-]

InChI

InChI=1S/C18H23N5O3S/c1-14(13-27-18(25)15-6-4-3-5-7-15)17(24)19-16-12-23(20-26-16)22-10-8-21(2)9-11-22/h3-7,12,14H,8-11,13H2,1-2H3/t14-/m1/s1