2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H30ClN3O2S MolecularWeight: 472.0426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C25H30ClN3O2S/c1-19(20-8-2-4-10-22(20)26)27-14-16-29(17-15-27)25(31)21-9-3-5-11-23(21)32-18-24(30)28-12-6-7-13-28/h2-5,8-11,19H,6-7,12-18H2,1H3