2,5-bis(oxidanylidene)-1,3,4-tris(phenylmethyl)pyrrolidin-1-ium-1,3-dicarbothioamide

Systemtic Name: 2,5-bis(oxidanylidene)-1,3,4-tris(phenylmethyl)pyrrolidin-1-ium-1,3-dicarbothioamide Openeye Name: 1,3,4-tribenzyl-2,5-dioxo-pyrrolidin-1-ium-1,3-dicarbothioamide CAS Name: 2,5-dioxo-1,3,4-tris(phenylmethyl)pyrrolidin-1-ium-1,3-dicarbothioamide IUPAC Name: 1,3,4-tribenzyl-2,5-dioxopyrrolidin-1-ium-1,3-dicarbothioamide Traditional Name: 1,3,4-tribenzyl-2,5-diketo-pyrrolidin-1-ium-1,3-dicarbothioamide Formula: C27H26N3O2S2+ MolecularWeight: 488.64424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)[N+](C(=O)C2(CC3=CC=CC=C3)C(=S)N)(CC4=CC=CC=C4)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)[N+](C(=O)C2(CC3=CC=CC=C3)C(=S)N)(CC4=CC=CC=C4)C(=S)N

InChI

InChI=1S/C27H25N3O2S2/c28-24(33)27(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)23(31)30(25(27)32,26(29)34)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H3-,28,29,33,34)/p+1