S-[2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]ethyl] ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN1CCN(CC1)C2=CC=CC=CC2=O

Isomeric SMILES

CC(=O)SCCN1CCN(CC1)C2=CC=CC=CC2=O

InChI

InChI=1S/C15H20N2O2S/c1-13(18)20-12-11-16-7-9-17(10-8-16)14-5-3-2-4-6-15(14)19/h2-6H,7-12H2,1H3