2,4-bis[2,2,6,6-tetramethyl-1-(phenylcarbamothioyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis[2,2,6,6-tetramethyl-1-(phenylcarbamothioyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate Openeye Name: 2,4-bis[2,2,6,6-tetramethyl-1-(phenylcarbamothioyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate CAS Name: 2,4-bis[1-[anilino(sulfanylidene)methyl]-2,2,6,6-tetramethyl-1-piperidin-1-iumyl]benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis[2,2,6,6-tetramethyl-1-(phenylcarbamothioyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate Traditional Name: 2,4-bis[2,2,6,6-tetramethyl-1-(phenylthiocarbamoyl)piperidin-1-ium-1-yl]isophthalate Formula: C40H50N4O4S2 MolecularWeight: 714.9794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC([N+]1(C2=C(C(=C(C=C2)C(=O)[O-])[N+]3(C(CCCC3(C)C)(C)C)C(=S)NC4=CC=CC=C4)C(=O)[O-])C(=S)NC5=CC=CC=C5)(C)C)C

Isomeric SMILES

CC1(CCCC([N+]1(C2=C(C(=C(C=C2)C(=O)[O-])[N+]3(C(CCCC3(C)C)(C)C)C(=S)NC4=CC=CC=C4)C(=O)[O-])C(=S)NC5=CC=CC=C5)(C)C)C

InChI

InChI=1S/C40H50N4O4S2/c1-37(2)23-15-24-38(3,4)43(37,35(49)41-27-17-11-9-12-18-27)30-22-21-29(33(45)46)32(31(30)34(47)48)44(36(50)42-28-19-13-10-14-20-28)39(5,6)25-16-26-40(44,7)8/h9-14,17-22H,15-16,23-26H2,1-8H3,(H2-2,41,42,45,46,47,48,49,50)