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

Systemtic Name: 6-chloranyl-1-[2-[ethyl(2-oxidanylpropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 6-chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 6-chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 6-chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 6-chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C21H26Cl2N2O2S MolecularWeight: 441.41434

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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)CC(C)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2S.ClH/c1-4-24(12-14(3)25)10-9-23-17-8-5-13(2)21-19(17)20(26)16-7-6-15(22)11-18(16)27-21;/h5-8,11,14,23,25H,4,9-10,12H2,1-3H3;1H