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

Systemtic Name: 1-(azepan-1-yl)-2-[4-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazino]ethanone Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H31N3O2S2/c26-20(24-9-3-1-2-4-10-24)17-23-11-13-25(14-12-23)21(27)18-5-7-19(8-6-18)22-28-15-16-29-22/h5-8,22H,1-4,9-17H2