O-hexadecyl [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-hexadecyl [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-hexadecyl [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]thio]methanethioic acid O-hexadecyl ester IUPAC Name: O-hexadecyl [2-[bis(2-cyanoethyl)amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[bis(2-cyanoethyl)amino]-2-keto-ethyl]thio]methanethioic acid O-cetyl ester Formula: C25H43N3O2S2 MolecularWeight: 481.75782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H43N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-25(31)32-23-24(29)28(20-16-18-26)21-17-19-27/h2-17,20-23H2,1H3