ethyl 4-[[2-(3-bromophenyl)quinolin-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(3-bromophenyl)quinolin-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-bromophenyl)quinoline-4-carbonyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromophenyl)quinoline-4-carbonyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(3-bromophenyl)quinoline-4-carbonyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H23BrN4O3S MolecularWeight: 527.43342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H23BrN4O3S/c1-2-32-24(31)29-12-10-28(11-13-29)23(33)27-22(30)19-15-21(16-6-5-7-17(25)14-16)26-20-9-4-3-8-18(19)20/h3-9,14-15H,2,10-13H2,1H3,(H,27,30,33)