1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-4-methylol-thioxanthen-9-one Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3