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

Systemtic Name: 4-(diphenylmethyl)-N-(4-ethanoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-benzhydryl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-benzhydrylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-benzhydryl-piperazin-4-ium-1-carbothioamide Formula: C26H28N3OS+ MolecularWeight: 430.58502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c1-20(30)21-12-14-24(15-13-21)27-26(31)29-18-16-28(17-19-29)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-19H2,1H3,(H,27,31)/p+1