1,3-bis(diethylcarbamothioylsulfanyl)propan-2-yl octanoate

Systemtic Name: 1,3-bis(diethylcarbamothioylsulfanyl)propan-2-yl octanoate Openeye Name: [2-(diethylcarbamothioylsulfanyl)-1-(diethylcarbamothioylsulfanylmethyl)ethyl] octanoate CAS Name: octanoic acid 1,3-bis[[diethylamino(sulfanylidene)methyl]thio]propan-2-yl ester IUPAC Name: 1,3-bis(diethylcarbamothioylsulfanyl)propan-2-yl octanoate Traditional Name: caprylic acid [2-(diethylthiocarbamoylthio)-1-[(diethylthiocarbamoylthio)methyl]ethyl] ester Formula: C21H40N2O2S4 MolecularWeight: 480.8145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CSC(=S)N(CC)CC)CSC(=S)N(CC)CC

Isomeric SMILES

CCCCCCCC(=O)OC(CSC(=S)N(CC)CC)CSC(=S)N(CC)CC

InChI

InChI=1S/C21H40N2O2S4/c1-6-11-12-13-14-15-19(24)25-18(16-28-20(26)22(7-2)8-3)17-29-21(27)23(9-4)10-5/h18H,6-17H2,1-5H3