ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-quinolin-6-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-ethylpiperazino)-4-methyl-6-quinolyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C25H36N6O2S MolecularWeight: 484.65734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NC4CCN(CC4)C(=O)OCC)C(=C2)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=S)NC4CCN(CC4)C(=O)OCC)C(=C2)C

InChI

InChI=1S/C25H36N6O2S/c1-4-29-12-14-30(15-13-29)23-16-18(3)21-17-20(6-7-22(21)28-23)27-24(34)26-19-8-10-31(11-9-19)25(32)33-5-2/h6-7,16-17,19H,4-5,8-15H2,1-3H3,(H2,26,27,34)