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

Systemtic Name: 4-(diphenylmethyl)-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(4-phenoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C30H30N3OS+ MolecularWeight: 480.6437

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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)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H29N3OS/c35-30(31-26-16-18-28(19-17-26)34-27-14-8-3-9-15-27)33-22-20-32(21-23-33)29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-19,29H,20-23H2,(H,31,35)/p+1