ethyl 2-[4-[(3,4-dichlorophenyl)methylcarbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(3,4-dichlorophenyl)methylcarbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(3,4-dichlorophenyl)methylcarbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3,4-dichlorophenyl)methylcarbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[(3,4-dichlorobenzyl)thiocarbamoyl]piperazino]acetic acid ethyl ester Formula: C16H21Cl2N3O2S MolecularWeight: 390.32784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H21Cl2N3O2S/c1-2-23-15(22)11-20-5-7-21(8-6-20)16(24)19-10-12-3-4-13(17)14(18)9-12/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,24)