ethyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O2S2 MolecularWeight: 387.94778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S2/c1-2-22-16(21)20-10-8-19(9-11-20)15(23)18-7-12-24-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,23)