2-cyano-2-[(5S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-cyano-2-[(5S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-cyano-N-(4-methylpiperazin-4-ium-1-yl)-2-[(5S)-4-oxo-3-phenyl-5-(p-tolylmethyl)thiazolidin-2-ylidene]acetamide CAS Name: 2-cyano-2-[(5S)-5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-2-thiazolidinylidene]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-cyano-2-[(5S)-5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-cyano-2-[(5S)-4-keto-5-(4-methylbenzyl)-3-phenyl-thiazolidin-2-ylidene]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)NN3CC[NH+](CC3)C)S2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H]2C(=O)N(C(=C(C#N)C(=O)NN3CC[NH+](CC3)C)S2)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-18-8-10-19(11-9-18)16-22-24(32)30(20-6-4-3-5-7-20)25(33-22)21(17-26)23(31)27-29-14-12-28(2)13-15-29/h3-11,22H,12-16H2,1-2H3,(H,27,31)/p+1/t22-/m0/s1