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

Systemtic Name: 4-methyl-1-[2-[(2-methyl-2-oxidanyl-propyl)amino]ethylamino]thioxanthen-9-one hydrochloride Openeye Name: 1-[2-[(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 1-[2-[(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 1-[2-[(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 1-[2-[(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=CC=CC=C3S2.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=CC=CC=C3S2.Cl

InChI

InChI=1S/C20H24N2O2S.ClH/c1-13-8-9-15(22-11-10-21-12-20(2,3)24)17-18(23)14-6-4-5-7-16(14)25-19(13)17;/h4-9,21-22,24H,10-12H2,1-3H3;1H