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

Systemtic Name: 1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S.ClH/c1-5-24(14-22(3,4)26)13-12-23-17-11-10-15(2)21-19(17)20(25)16-8-6-7-9-18(16)27-21;/h6-11,23,26H,5,12-14H2,1-4H3;1H