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

Systemtic Name: S-[2-[6-[[2-(2-dimethylaminoethylamino)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[[2-(2-dimethylaminoethylamino)-6-quinolyl]sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[[2-(2-dimethylaminoethylamino)-6-quinolinyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[[2-(2-dimethylaminoethylamino)quinolin-6-yl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-[[2-(2-dimethylaminoethylamino)-6-quinolyl]sulfonylamino]-3-pyridyl]-2-keto-ethyl] ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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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)NCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S2/c1-15(28)32-14-20(29)17-5-9-22(24-13-17)26-33(30,31)18-6-7-19-16(12-18)4-8-21(25-19)23-10-11-27(2)3/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)(H,24,26)