N-phenyl-1,3-bis(phenylmethyl)benzimidazol-3-ium-2-carbothioamide

Systemtic Name: N-phenyl-1,3-bis(phenylmethyl)benzimidazol-3-ium-2-carbothioamide Openeye Name: 1,3-dibenzyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide CAS Name: N-phenyl-1,3-bis(phenylmethyl)-2-benzimidazol-3-iumcarbothioamide IUPAC Name: 1,3-dibenzyl-N-phenylbenzimidazol-3-ium-2-carbothioamide Traditional Name: 1,3-dibenzyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide Formula: C28H24N3S+ MolecularWeight: 434.57526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3[N+](=C2C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3[N+](=C2C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H23N3S/c32-27(29-24-16-8-3-9-17-24)28-30(20-22-12-4-1-5-13-22)25-18-10-11-19-26(25)31(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2/p+1