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

Systemtic Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-o-phenetylpiperazine-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O3S/c1-2-31-22-11-5-4-10-21(22)26-15-17-28(18-16-26)25(30)20-9-3-6-12-23(20)32-19-24(29)27-13-7-8-14-27/h3-6,9-12H,2,7-8,13-19H2,1H3