azepan-1-ylsulfanyl-[[3,5-bis(azepan-1-ylsulfanylcarbonyldisulfanyl)phenyl]disulfanyl]methanone

Systemtic Name: azepan-1-ylsulfanyl-[[3,5-bis(azepan-1-ylsulfanylcarbonyldisulfanyl)phenyl]disulfanyl]methanone Openeye Name: azepan-1-ylsulfanyl-[[3,5-bis(azepan-1-ylsulfanylcarbonyldisulfanyl)phenyl]disulfanyl]methanone CAS Name: (1-azepanylthio)-[[3,5-bis[[(1-azepanylthio)-oxomethyl]disulfanyl]phenyl]disulfanyl]methanone IUPAC Name: azepan-1-ylsulfanyl-[[3,5-bis(azepan-1-ylsulfanylcarbonyldisulfanyl)phenyl]disulfanyl]methanone Traditional Name: (azepan-1-ylthio)-[[3,5-bis[(azepan-1-ylthio)carbonyldisulfanyl]phenyl]disulfanyl]methanone Formula: C27H39N3O3S9 MolecularWeight: 742.20186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)SC(=O)SSC2=CC(=CC(=C2)SSC(=O)SN3CCCCCC3)SSC(=O)SN4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)SC(=O)SSC2=CC(=CC(=C2)SSC(=O)SN3CCCCCC3)SSC(=O)SN4CCCCCC4

InChI

InChI=1S/C27H39N3O3S9/c31-25(34-28-13-7-1-2-8-14-28)40-37-22-19-23(38-41-26(32)35-29-15-9-3-4-10-16-29)21-24(20-22)39-42-27(33)36-30-17-11-5-6-12-18-30/h19-21H,1-18H2