ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H34N6O2S MolecularWeight: 470.63076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C(=O)OCC)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)N4CCN(CC4)C(=O)OCC)C(=C2)C

InChI

InChI=1S/C24H34N6O2S/c1-4-27-8-10-28(11-9-27)22-16-18(3)20-17-19(6-7-21(20)26-22)25-23(33)29-12-14-30(15-13-29)24(31)32-5-2/h6-7,16-17H,4-5,8-15H2,1-3H3,(H,25,33)