N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioylbenzamide Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)benzamide CAS Name: N-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)benzamide Traditional Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS/c29-24(22-14-8-3-9-15-22)26-25(30)28-18-16-27(17-19-28)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,26,29,30)/p+1