ethyl 4-(2-phenylsulfanylethylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-phenylsulfanylethylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-phenylsulfanylethylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenylsulfanylethylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-[2-(phenylthio)ethylthiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H23N3O2S2 MolecularWeight: 353.50272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O2S2/c1-2-21-16(20)19-11-9-18(10-12-19)15(22)17-8-13-23-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,22)