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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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