S-[(2S)-2-methyl-3-[[3-(4-methylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[(2S)-2-methyl-3-[[3-(4-methylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[(2S)-2-methyl-3-[[3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-5-yl]amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2S)-2-methyl-3-[[3-(4-methyl-1-piperazinyl)-5-oxadiazol-3-iumyl]amino]-3-oxopropyl] ester IUPAC Name: S-[(2S)-2-methyl-3-[[3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-5-yl]amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2S)-3-keto-2-methyl-3-[[3-(4-methylpiperazino)oxadiazol-3-ium-5-yl]amino]propyl] ester Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/p+1/t14-/m1/s1