N-tert-butyl-4-[2-[(2S)-2-(4-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-tert-butyl-4-[2-[(2S)-2-(4-methylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-tert-butyl-4-[2-[(2S)-4-oxo-2-(p-tolyl)thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-tert-butyl-4-[2-[(2S)-2-(4-methylphenyl)-4-oxo-3-thiazolidinyl]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-tert-butyl-4-[2-[(2S)-2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-tert-butyl-4-[2-[(2S)-4-keto-2-(p-tolyl)thiazolidin-3-yl]ethyl]piperazin-4-ium-1-carboxamide Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2N(C(=O)CS2)CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)CC[NH+]3CCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H32N4O2S/c1-16-5-7-17(8-6-16)19-25(18(26)15-28-19)14-11-23-9-12-24(13-10-23)20(27)22-21(2,3)4/h5-8,19H,9-15H2,1-4H3,(H,22,27)/p+1/t19-/m0/s1