S-[2-[6-[[2-(4-methylpiperazin-1-yl)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-[[2-(4-methylpiperazin-1-yl)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[[2-(4-methylpiperazin-1-yl)-6-quinolyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[2-(4-methyl-1-piperazinyl)-6-quinolinyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[2-(4-methylpiperazin-1-yl)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[6-[[2-(4-methylpiperazino)-6-quinolyl]sulfonylamino]-3-pyridyl]ethyl] ester Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H25N5O4S2/c1-16(29)33-15-21(30)18-3-7-22(24-14-18)26-34(31,32)19-5-6-20-17(13-19)4-8-23(25-20)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,26)