ethyl 4-(diethylcarbamothioylsulfanylmethyl)benzoate

Systemtic Name: ethyl 4-(diethylcarbamothioylsulfanylmethyl)benzoate Openeye Name: ethyl 4-(diethylcarbamothioylsulfanylmethyl)benzoate CAS Name: 4-[[[diethylamino(sulfanylidene)methyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(diethylcarbamothioylsulfanylmethyl)benzoate Traditional Name: 4-[(diethylthiocarbamoylthio)methyl]benzoic acid ethyl ester Formula: C15H21NO2S2 MolecularWeight: 311.46274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C15H21NO2S2/c1-4-16(5-2)15(19)20-11-12-7-9-13(10-8-12)14(17)18-6-3/h7-10H,4-6,11H2,1-3H3