imidazo[4,5-c]quinolin-1-yl 4-chloranyl-2-ethyl-2-(4-methylsulfanylphenyl)piperidine-1-carboxylate

Systemtic Name: imidazo[4,5-c]quinolin-1-yl 4-chloranyl-2-ethyl-2-(4-methylsulfanylphenyl)piperidine-1-carboxylate Openeye Name: imidazo[4,5-c]quinolin-1-yl 4-chloro-2-ethyl-2-(4-methylsulfanylphenyl)piperidine-1-carboxylate CAS Name: 4-chloro-2-ethyl-2-[4-(methylthio)phenyl]-1-piperidinecarboxylic acid 1-imidazo[4,5-c]quinolinyl ester IUPAC Name: imidazo[4,5-c]quinolin-1-yl 4-chloro-2-ethyl-2-(4-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-chloro-2-ethyl-2-[4-(methylthio)phenyl]piperidine-1-carboxylic acid imidazo[4,5-c]quinolin-1-yl ester Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCN1C(=O)ON2C=NC3=C2C4=CC=CC=C4N=C3)Cl)C5=CC=C(C=C5)SC

Isomeric SMILES

CCC1(CC(CCN1C(=O)ON2C=NC3=C2C4=CC=CC=C4N=C3)Cl)C5=CC=C(C=C5)SC

InChI

InChI=1S/C25H25ClN4O2S/c1-3-25(17-8-10-19(33-2)11-9-17)14-18(26)12-13-29(25)24(31)32-30-16-28-22-15-27-21-7-5-4-6-20(21)23(22)30/h4-11,15-16,18H,3,12-14H2,1-2H3