ethyl 2-[4-[(3-chlorophenyl)carbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(3-chlorophenyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(3-chlorophenyl)carbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(3-chloroanilino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3-chlorophenyl)carbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[(3-chlorophenyl)thiocarbamoyl]piperazino]acetic acid ethyl ester Formula: C15H20ClN3O2S MolecularWeight: 341.8562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3O2S/c1-2-21-14(20)11-18-6-8-19(9-7-18)15(22)17-13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,17,22)