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

Systemtic Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(o-tolylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2-methylbenzyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O2S/c1-20-8-2-3-9-21(20)18-26-14-16-28(17-15-26)25(30)22-10-4-5-11-23(22)31-19-24(29)27-12-6-7-13-27/h2-5,8-11H,6-7,12-19H2,1H3