1-pyrrolidin-1-yl-2-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[2-[4-(2-thienylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-ethanone CAS Name: 2-[[2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylethanone Traditional Name: 1-pyrrolidino-2-[[2-[4-(2-thenyl)piperazine-1-carbonyl]phenyl]thio]ethanone Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H27N3O2S2/c26-21(24-9-3-4-10-24)17-29-20-8-2-1-7-19(20)22(27)25-13-11-23(12-14-25)16-18-6-5-15-28-18/h1-2,5-8,15H,3-4,9-14,16-17H2