(5E)-5-[(4-tert-butylphenyl)methylidene]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[(4-tert-butylphenyl)methylene]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-(4-tert-butylbenzylidene)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-thioxo-thiazolidin-4-one Formula: C21H29N2OS2+ MolecularWeight: 389.59776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=O)/C(=C\C3=CC=C(C=C3)C(C)(C)C)/SC2=S

InChI

InChI=1S/C21H28N2OS2/c1-15-9-11-22(12-10-15)14-23-19(24)18(26-20(23)25)13-16-5-7-17(8-6-16)21(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3/p+1/b18-13+