2-[4-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazino]-1-piperidino-ethanone Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H29N3O2S2/c25-19(23-8-2-1-3-9-23)16-22-10-12-24(13-11-22)20(26)17-4-6-18(7-5-17)21-27-14-15-28-21/h4-7,21H,1-3,8-16H2