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

Systemtic Name: 2-[2-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C24H29N3O2S/c1-19-8-2-4-10-21(19)25-14-16-27(17-15-25)24(29)20-9-3-5-11-22(20)30-18-23(28)26-12-6-7-13-26/h2-5,8-11H,6-7,12-18H2,1H3