1-[2-[ethyl(2-oxidanylpropan-2-yl)amino]ethylamino]-4-methyl-thioxanthen-9-one

Systemtic Name: 1-[2-[ethyl(2-oxidanylpropan-2-yl)amino]ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 1-[2-[ethyl-(1-hydroxy-1-methyl-ethyl)amino]ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 1-[2-[ethyl(2-hydroxypropan-2-yl)amino]ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 1-[2-[ethyl(2-hydroxypropan-2-yl)amino]ethylamino]-4-methylthioxanthen-9-one Traditional Name: 1-[2-[ethyl-(1-hydroxy-1-methyl-ethyl)amino]ethylamino]-4-methyl-thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-5-23(21(3,4)25)13-12-22-16-11-10-14(2)20-18(16)19(24)15-8-6-7-9-17(15)26-20/h6-11,22,25H,5,12-13H2,1-4H3