oxan-2-ylmethyl N-(5-bromanylpentyl)-N-(heptadecylcarbamoylsulfanyl)carbamate

Systemtic Name: oxan-2-ylmethyl N-(5-bromanylpentyl)-N-(heptadecylcarbamoylsulfanyl)carbamate Openeye Name: tetrahydropyran-2-ylmethyl N-(5-bromopentyl)-N-(heptadecylcarbamoylsulfanyl)carbamate CAS Name: N-(5-bromopentyl)-N-[[(heptadecylamino)-oxomethyl]thio]carbamic acid 2-oxanylmethyl ester IUPAC Name: oxan-2-ylmethyl N-(5-bromopentyl)-N-(heptadecylcarbamoylsulfanyl)carbamate Traditional Name: N-(5-bromopentyl)-N-(heptadecylcarbamoylthio)carbamic acid tetrahydropyran-2-ylmethyl ester Formula: C30H57BrN2O4S MolecularWeight: 621.75358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)SN(CCCCCBr)C(=O)OCC1CCCCO1

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)SN(CCCCCBr)C(=O)OCC1CCCCO1

InChI

InChI=1S/C30H57BrN2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-32-29(34)38-33(25-20-16-18-23-31)30(35)37-27-28-22-17-21-26-36-28/h28H,2-27H2,1H3,(H,32,34)