ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H17BrClN3O3S MolecularWeight: 434.73578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrClN3O3S/c1-2-23-15(22)20-7-5-19(6-8-20)14(24)18-13(21)11-9-10(16)3-4-12(11)17/h3-4,9H,2,5-8H2,1H3,(H,18,21,24)