2-(azepan-1-ylsulfanyl)isoindole-1,3-dione

Systemtic Name: 2-(azepan-1-ylsulfanyl)isoindole-1,3-dione Openeye Name: 2-(azepan-1-ylsulfanyl)isoindoline-1,3-dione CAS Name: 2-(1-azepanylthio)isoindole-1,3-dione IUPAC Name: 2-(azepan-1-ylsulfanyl)isoindole-1,3-dione Traditional Name: 2-(azepan-1-ylthio)isoindoline-1,3-quinone Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)SN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)SN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H16N2O2S/c17-13-11-7-3-4-8-12(11)14(18)16(13)19-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2