ethyl 2-[4-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-bromo-3-methyl-phenyl)carbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-bromo-3-methylphenyl)carbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]piperazino]acetic acid ethyl ester Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2S/c1-3-22-15(21)11-19-6-8-20(9-7-19)16(23)18-13-4-5-14(17)12(2)10-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,23)