octadecyl 5-(diethylcarbamothioylsulfanyl)-2-methyl-2-phenethyl-5-phenyl-pentanoate

Systemtic Name: octadecyl 5-(diethylcarbamothioylsulfanyl)-2-methyl-2-phenethyl-5-phenyl-pentanoate Openeye Name: octadecyl 5-(diethylcarbamothioylsulfanyl)-2-methyl-2-phenethyl-5-phenyl-pentanoate CAS Name: 5-[[diethylamino(sulfanylidene)methyl]thio]-2-methyl-2-phenethyl-5-phenylpentanoic acid octadecyl ester IUPAC Name: octadecyl 5-(diethylcarbamothioylsulfanyl)-2-methyl-2-phenethyl-5-phenylpentanoate Traditional Name: 5-(diethylthiocarbamoylthio)-2-methyl-2-phenethyl-5-phenyl-valeric acid stearyl ester Formula: C43H69NO2S2 MolecularWeight: 696.14346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CCC1=CC=CC=C1)CCC(C2=CC=CC=C2)SC(=S)N(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CCC1=CC=CC=C1)CCC(C2=CC=CC=C2)SC(=S)N(CC)CC

InChI

InChI=1S/C43H69NO2S2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-37-46-41(45)43(4,35-33-38-29-24-22-25-30-38)36-34-40(39-31-26-23-27-32-39)48-42(47)44(6-2)7-3/h22-27,29-32,40H,5-21,28,33-37H2,1-4H3