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

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-methylol-thioxanthen-9-one Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-3-22(4-2)10-9-21-16-7-5-13(12-23)20-18(16)19(25)15-11-14(24)6-8-17(15)26-20/h5-8,11,21,23-24H,3-4,9-10,12H2,1-2H3