3,4-bis(azepan-1-ylcarbothioyldisulfanyl)butanoate

Systemtic Name: 3,4-bis(azepan-1-ylcarbothioyldisulfanyl)butanoate Openeye Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butanoate CAS Name: 3,4-bis[[1-azepanyl(sulfanylidene)methyl]disulfanyl]butanoate IUPAC Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butanoate Traditional Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butyrate Formula: C18H29N2O2S6- MolecularWeight: 497.82506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SSCC(CC(=O)[O-])SSC(=S)N2CCCCCC2

Isomeric SMILES

C1CCCN(CC1)C(=S)SSCC(CC(=O)[O-])SSC(=S)N2CCCCCC2

InChI

InChI=1S/C18H30N2O2S6/c21-16(22)13-15(26-28-18(24)20-11-7-3-4-8-12-20)14-25-27-17(23)19-9-5-1-2-6-10-19/h15H,1-14H2,(H,21,22)/p-1