O-hexadecyl 2-[bis(2-cyanoethyl)carbamothioylsulfanyl]ethylsulfanylmethanethioate

Systemtic Name: O-hexadecyl 2-[bis(2-cyanoethyl)carbamothioylsulfanyl]ethylsulfanylmethanethioate Openeye Name: O-hexadecyl 2-[bis(2-cyanoethyl)carbamothioylsulfanyl]ethylsulfanylmethanethioate CAS Name: [2-[[[bis(2-cyanoethyl)amino]-sulfanylidenemethyl]thio]ethylthio]methanethioic acid O-hexadecyl ester IUPAC Name: O-hexadecyl 2-[bis(2-cyanoethyl)carbamothioylsulfanyl]ethylsulfanylmethanethioate Traditional Name: [2-[bis(2-cyanoethyl)thiocarbamoylthio]ethylthio]methanethioic acid O-cetyl ester Formula: C26H45N3OS4 MolecularWeight: 543.915

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=S)SCCSC(=S)N(CCC#N)CCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=S)SCCSC(=S)N(CCC#N)CCC#N

InChI

InChI=1S/C26H45N3OS4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30-26(32)34-24-23-33-25(31)29(20-16-18-27)21-17-19-28/h2-17,20-24H2,1H3