4-(diphenylmethyl)-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C25H28N3S+ MolecularWeight: 402.57492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3S/c1-20-10-8-9-15-23(20)26-25(29)28-18-16-27(17-19-28)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24H,16-19H2,1H3,(H,26,29)/p+1