methyl (1E)-N-[3-(4-chlorophenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-[3-(4-chlorophenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Openeye Name: methyl (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate CAS Name: (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]piperidine-1-carboximidothioate Traditional Name: (1E)-N-[1-(4-chlorophenyl)-3-oxido-2,4-diphenyl-3-imidazolin-3-ium-2-yl]piperidine-1-carboximidothioic acid methyl ester Formula: C28H29ClN4OS MolecularWeight: 505.07406

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/N5CCCCC5

InChI

InChI=1S/C28H29ClN4OS/c1-35-27(31-19-9-4-10-20-31)30-28(23-13-7-3-8-14-23)32(25-17-15-24(29)16-18-25)21-26(33(28)34)22-11-5-2-6-12-22/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3/b30-27+