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

Systemtic Name: 6-chloranyl-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylol-thioxanthen-9-one Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-2-23(9-10-24)8-7-22-16-6-3-13(12-25)20-18(16)19(26)15-5-4-14(21)11-17(15)27-20/h3-6,11,22,24-25H,2,7-10,12H2,1H3