1-[1-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-[1-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-[1-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-[1-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-[1-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-[1-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-thioxanthen-9-one Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O)N(C)C

Isomeric SMILES

CC(NC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O)N(C)C

InChI

InChI=1S/C18H20N2O3S/c1-10(20(2)3)19-14-6-4-11(9-21)18-16(14)17(23)13-8-12(22)5-7-15(13)24-18/h4-8,10,19,21-22H,9H2,1-3H3