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

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3