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

Systemtic Name: 6-chloranyl-1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 6-chloro-1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2S/c1-5-25(13-22(3,4)27)11-10-24-17-9-6-14(2)21-19(17)20(26)16-8-7-15(23)12-18(16)28-21/h6-9,12,24,27H,5,10-11,13H2,1-4H3