(3,5-dibutylphenyl) N-[3-(diethylcarbamothioylsulfanyl)propanoyl]carbamate

Systemtic Name: (3,5-dibutylphenyl) N-[3-(diethylcarbamothioylsulfanyl)propanoyl]carbamate Openeye Name: (3,5-dibutylphenyl) N-[3-(diethylcarbamothioylsulfanyl)propanoyl]carbamate CAS Name: N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (3,5-dibutylphenyl) ester IUPAC Name: (3,5-dibutylphenyl) N-[3-(diethylcarbamothioylsulfanyl)propanoyl]carbamate Traditional Name: N-[3-(diethylthiocarbamoylthio)propanoyl]carbamic acid (3,5-dibutylphenyl) ester Formula: C23H36N2O3S2 MolecularWeight: 452.67354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1)OC(=O)NC(=O)CCSC(=S)N(CC)CC)CCCC

Isomeric SMILES

CCCCC1=CC(=CC(=C1)OC(=O)NC(=O)CCSC(=S)N(CC)CC)CCCC

InChI

InChI=1S/C23H36N2O3S2/c1-5-9-11-18-15-19(12-10-6-2)17-20(16-18)28-22(27)24-21(26)13-14-30-23(29)25(7-3)8-4/h15-17H,5-14H2,1-4H3,(H,24,26,27)