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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(26-12-6-7-13-26)19-30-22-11-5-4-10-21(22)24(29)27-16-14-25(15-17-27)18-20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2