2-(phenylmethylsulfanyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo-(2-thiophen-2-ylcyclopropyl)methyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(2-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazino]ethanone Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)C(=O)C3CC3C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)C(=O)C3CC3C4=CC=CS4

InChI

InChI=1S/C21H24N2O2S2/c24-20(15-26-14-16-5-2-1-3-6-16)22-8-10-23(11-9-22)21(25)18-13-17(18)19-7-4-12-27-19/h1-7,12,17-18H,8-11,13-15H2