2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazino]-1-pyrrolidino-ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O2S/c1-29-21-22-15-18(26(21)17-7-3-2-4-8-17)20(28)25-13-11-23(12-14-25)16-19(27)24-9-5-6-10-24/h2-4,7-8,15H,5-6,9-14,16H2,1H3