[2-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]phenyl] methylsulfanylmethanoate

Systemtic Name: [2-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]phenyl] methylsulfanylmethanoate Openeye Name: [2-[4-[(2-methoxy-3-quinolyl)amino]piperazin-1-yl]phenyl] methylsulfanylformate CAS Name: (methylthio)formic acid [2-[4-[(2-methoxy-3-quinolinyl)amino]-1-piperazinyl]phenyl] ester IUPAC Name: [2-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]phenyl] methylsulfanylformate Traditional Name: (methylthio)formic acid [2-[4-[(2-methoxy-3-quinolyl)amino]piperazino]phenyl] ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1NN3CCN(CC3)C4=CC=CC=C4OC(=O)SC

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1NN3CCN(CC3)C4=CC=CC=C4OC(=O)SC

InChI

InChI=1S/C22H24N4O3S/c1-28-21-18(15-16-7-3-4-8-17(16)23-21)24-26-13-11-25(12-14-26)19-9-5-6-10-20(19)29-22(27)30-2/h3-10,15,24H,11-14H2,1-2H3