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

Systemtic Name: ethyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H32N6O2S MolecularWeight: 456.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C

InChI

InChI=1S/C23H32N6O2S/c1-4-31-23(30)29-13-11-28(12-14-29)22(32)24-18-5-6-20-19(16-18)17(2)15-21(25-20)27-9-7-26(3)8-10-27/h5-6,15-16H,4,7-14H2,1-3H3,(H,24,32)