2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C21H29BrN5O2S+ MolecularWeight: 495.45626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrN5O2S/c1-21(2,3)25-18(28)13-26-8-10-27(11-9-26)19(29)14-30-20-23-12-17(24-20)15-4-6-16(22)7-5-15/h4-7,12H,8-11,13-14H2,1-3H3,(H,23,24)(H,25,28)/p+1