1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methyl-thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methyl-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methyl-thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methyl-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-2-methylthioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-2-methyl-4-methylol-thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1C)CO)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1C)CO)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O2S/c1-4-23(5-2)11-10-22-19-14(3)12-15(13-24)21-18(19)20(25)16-8-6-7-9-17(16)26-21/h6-9,12,22,24H,4-5,10-11,13H2,1-3H3