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

Systemtic Name: N-(4-bromophenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Formula: C24H25BrN3S+ MolecularWeight: 467.4444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3S/c25-21-11-13-22(14-12-21)26-24(29)28-17-15-27(16-18-28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,26,29)/p+1