O-phenyl N-[4-(dodecylsulfanylmethyl)phenyl]-N-methyl-carbamothioate

Systemtic Name: O-phenyl N-[4-(dodecylsulfanylmethyl)phenyl]-N-methyl-carbamothioate Openeye Name: O-phenyl N-[4-(dodecylsulfanylmethyl)phenyl]-N-methyl-carbamothioate CAS Name: N-[4-[(dodecylthio)methyl]phenyl]-N-methylcarbamothioic acid O-phenyl ester IUPAC Name: O-phenyl N-[4-(dodecylsulfanylmethyl)phenyl]-N-methylcarbamothioate Traditional Name: N-[4-[(laurylthio)methyl]phenyl]-N-methyl-thiocarbamic acid O-phenyl ester Formula: C27H39NOS2 MolecularWeight: 457.73466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=C(C=C1)N(C)C(=S)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=C(C=C1)N(C)C(=S)OC2=CC=CC=C2

InChI

InChI=1S/C27H39NOS2/c1-3-4-5-6-7-8-9-10-11-15-22-31-23-24-18-20-25(21-19-24)28(2)27(30)29-26-16-13-12-14-17-26/h12-14,16-21H,3-11,15,22-23H2,1-2H3