1-[[4-[[3-(diethylcarbamothioyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-diethyl-pyridin-1-ium-3-carbothioamide

Systemtic Name: 1-[[4-[[3-(diethylcarbamothioyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-diethyl-pyridin-1-ium-3-carbothioamide Openeye Name: 1-[[4-[[3-(diethylcarbamothioyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-diethyl-pyridin-1-ium-3-carbothioamide CAS Name: 1-[[4-[[3-[diethylamino(sulfanylidene)methyl]-1-pyridin-1-iumyl]methyl]phenyl]methyl]-N,N-diethyl-3-pyridin-1-iumcarbothioamide IUPAC Name: 1-[[4-[[3-(diethylcarbamothioyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-diethylpyridin-1-ium-3-carbothioamide Traditional Name: 1-[4-[[3-(diethylthiocarbamoyl)pyridin-1-ium-1-yl]methyl]benzyl]-N,N-diethyl-pyridin-1-ium-3-carbothioamide Formula: C28H36N4S2+2 MolecularWeight: 492.74224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=S)N(CC)CC

Isomeric SMILES

CCN(CC)C(=S)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=S)N(CC)CC

InChI

InChI=1S/C28H36N4S2/c1-5-31(6-2)27(33)25-11-9-17-29(21-25)19-23-13-15-24(16-14-23)20-30-18-10-12-26(22-30)28(34)32(7-3)8-4/h9-18,21-22H,5-8,19-20H2,1-4H3/q+2