4-(diphenylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(1-naphthyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(1-naphthalenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-naphthalen-1-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(1-naphthyl)piperazin-4-ium-1-carbothioamide Formula: C28H28N3S+ MolecularWeight: 438.60702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3S/c32-28(29-26-17-9-15-22-10-7-8-16-25(22)26)31-20-18-30(19-21-31)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,27H,18-21H2,(H,29,32)/p+1