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

Systemtic Name: 4-(diphenylmethyl)-N-(4-phenylazanylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-benzhydryl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-benzhydrylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-benzhydryl-piperazin-4-ium-1-carbothioamide Formula: C30H31N4S+ MolecularWeight: 479.65894

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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)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C30H30N4S/c35-30(32-28-18-16-27(17-19-28)31-26-14-8-3-9-15-26)34-22-20-33(21-23-34)29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-19,29,31H,20-23H2,(H,32,35)/p+1