[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(diphenylmethyl)piperazin-4-ium-1-carbodithioate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(diphenylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-benzhydrylpiperazin-4-ium-1-carbodithioate CAS Name: 4-(diphenylmethyl)-1-piperazin-4-iumcarbodithioic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-benzhydrylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-benzhydrylpiperazin-4-ium-1-carbodithioic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C29H28N5OS2+ MolecularWeight: 526.69552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C29H27N5OS2/c30-19-23(28-31-24-13-7-8-14-25(24)32-28)26(35)20-37-29(36)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27,31-32H,15-18,20H2/p+1