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

Systemtic Name: 6-chloranyl-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C20H24Cl2N2O2S MolecularWeight: 427.38776

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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)CCO.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2S.ClH/c1-3-23(10-11-24)9-8-22-16-7-4-13(2)20-18(16)19(25)15-6-5-14(21)12-17(15)26-20;/h4-7,12,22,24H,3,8-11H2,1-2H3;1H