2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]acetyl]piperazino]-1-pyrrolidino-ethanone Formula: C21H26BrN5O2S MolecularWeight: 492.43244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H26BrN5O2S/c22-17-5-3-16(4-6-17)18-13-23-21(24-18)30-15-20(29)27-11-9-25(10-12-27)14-19(28)26-7-1-2-8-26/h3-6,13H,1-2,7-12,14-15H2,(H,23,24)