2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

InChI

InChI=1S/C25H31N3O2S/c1-19-8-7-10-22(20(19)2)26-14-16-28(17-15-26)25(30)21-9-3-4-11-23(21)31-18-24(29)27-12-5-6-13-27/h3-4,7-11H,5-6,12-18H2,1-2H3