1-(2-diethylaminoethylamino)-4-methyl-5-oxidanyl-thioxanthen-9-one hydroiodide

Systemtic Name: 1-(2-diethylaminoethylamino)-4-methyl-5-oxidanyl-thioxanthen-9-one hydroiodide Openeye Name: 1-(2-diethylaminoethylamino)-5-hydroxy-4-methyl-thioxanthen-9-one hydroiodide CAS Name: 1-(2-diethylaminoethylamino)-5-hydroxy-4-methyl-9-thioxanthenone hydroiodide IUPAC Name: 1-(2-diethylaminoethylamino)-5-hydroxy-4-methylthioxanthen-9-one hydroiodide Traditional Name: 1-(2-diethylaminoethylamino)-5-hydroxy-4-methyl-thioxanthen-9-one hydroiodide Formula: C20H25IN2O2S MolecularWeight: 484.39417

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3O.I

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3O.I

InChI

InChI=1S/C20H24N2O2S.HI/c1-4-22(5-2)12-11-21-15-10-9-13(3)19-17(15)18(24)14-7-6-8-16(23)20(14)25-19;/h6-10,21,23H,4-5,11-12H2,1-3H3;1H