(2S)-2-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidin-4-one

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidin-4-one Openeye Name: (2S)-2-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiazolidin-4-one CAS Name: (2S)-2-(4-tert-butylphenyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-thiazolidinone IUPAC Name: (2S)-2-(4-tert-butylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one Traditional Name: (2S)-2-(4-tert-butylphenyl)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiazolidin-4-one Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2N(C(=O)CS2)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H29N3O2S/c1-20(2,3)16-7-5-15(6-8-16)19-23(18(25)14-26-19)13-17(24)22-11-9-21(4)10-12-22/h5-8,19H,9-14H2,1-4H3/p+1/t19-/m0/s1