2-[2-hydroxyethyl-[4-[4-(quinolin-4-ylamino)phenyl]sulfanylphenyl]amino]ethanol dihydrochloride

Systemtic Name: 2-[2-hydroxyethyl-[4-[4-(quinolin-4-ylamino)phenyl]sulfanylphenyl]amino]ethanol dihydrochloride Openeye Name: 2-[N-(2-hydroxyethyl)-4-[4-(4-quinolylamino)phenyl]sulfanyl-anilino]ethanol dihydrochloride CAS Name: 2-[N-(2-hydroxyethyl)-4-[[4-(4-quinolinylamino)phenyl]thio]anilino]ethanol dihydrochloride IUPAC Name: 2-[N-(2-hydroxyethyl)-4-[4-(quinolin-4-ylamino)phenyl]sulfanylanilino]ethanol dihydrochloride Traditional Name: 2-[N-(2-hydroxyethyl)-4-[[4-(4-quinolylamino)phenyl]thio]anilino]ethanol dihydrochloride Formula: C25H27Cl2N3O2S MolecularWeight: 504.47178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCO)CCO.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCO)CCO.Cl.Cl

InChI

InChI=1S/C25H25N3O2S.2ClH/c29-17-15-28(16-18-30)20-7-11-22(12-8-20)31-21-9-5-19(6-10-21)27-25-13-14-26-24-4-2-1-3-23(24)25;;/h1-14,29-30H,15-18H2,(H,26,27);2*1H