N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C29H31N4O2S+ MolecularWeight: 499.64704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(23-15-16-23)31-29(36)30-25-14-8-7-13-24(25)28(35)33-19-17-32(18-20-33)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26H,15-20H2,(H2,30,31,34,36)/p+1