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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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