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

Systemtic Name: 2-[2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-p-toluoylpiperazine-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-19-8-10-20(11-9-19)24(30)27-14-16-28(17-15-27)25(31)21-6-2-3-7-22(21)32-18-23(29)26-12-4-5-13-26/h2-3,6-11H,4-5,12-18H2,1H3