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

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]propanamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]propionamide Formula: C28H31N4O2S+ MolecularWeight: 487.63634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-2-25(33)30-28(35)29-24-16-10-9-15-23(24)27(34)32-19-17-31(18-20-32)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,26H,2,17-20H2,1H3,(H2,29,30,33,35)/p+1