1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]thioxanthen-9-one trihydrochloride

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]thioxanthen-9-one trihydrochloride Openeye Name: 1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]thioxanthen-9-one trihydrochloride CAS Name: 1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]-9-thioxanthenone trihydrochloride IUPAC Name: 1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]thioxanthen-9-one trihydrochloride Traditional Name: 1-(2-dimethylaminoethylamino)-4-[2-(2-hydroxyethylamino)ethylamino]thioxanthen-9-one trihydrochloride Formula: C21H31Cl3N4O2S MolecularWeight: 509.92044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)NCCNCCO)SC3=CC=CC=C3C2=O.Cl.Cl.Cl

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)NCCNCCO)SC3=CC=CC=C3C2=O.Cl.Cl.Cl

InChI

InChI=1S/C21H28N4O2S.3ClH/c1-25(2)13-11-24-16-7-8-17(23-10-9-22-12-14-26)21-19(16)20(27)15-5-3-4-6-18(15)28-21;;;/h3-8,22-24,26H,9-14H2,1-2H3;3*1H