1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methylol-thioxanthen-9-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-4-24(14-22(2,3)27)12-11-23-17-10-9-15(13-25)21-19(17)20(26)16-7-5-6-8-18(16)28-21/h5-10,23,25,27H,4,11-14H2,1-3H3