1-(2-diethylaminoethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one hydroiodide

Systemtic Name: 1-(2-diethylaminoethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one hydroiodide Openeye Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one hydroiodide CAS Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-methyl-9-thioxanthenone hydroiodide IUPAC Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-methylthioxanthen-9-one hydroiodide Traditional Name: 1-(2-diethylaminoethylamino)-7-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=C(C=C3)O.I

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)O.I

InChI

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