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

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-4-methylol-thioxanthen-9-one Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-20(2)10-9-19-14-8-7-12(11-21)18-16(14)17(22)13-5-3-4-6-15(13)23-18/h3-8,19,21H,9-11H2,1-2H3