4-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxamide trihydrochloride

Systemtic Name: 4-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxamide trihydrochloride Openeye Name: 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxamide trihydrochloride CAS Name: 4-[4-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazinyl]-2-quinolinecarboxamide trihydrochloride IUPAC Name: 4-[4-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxamide trihydrochloride Traditional Name: 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazino]quinaldamide trihydrochloride Formula: C22H31Cl3N6O2S MolecularWeight: 549.94454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=CC(=NC5=CC=CC=C54)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C22H28N6O2S.3ClH/c23-21(29)18-12-20(16-3-1-2-4-17(16)25-18)27-7-5-26(6-8-27)15-11-19(24-13-15)22(30)28-9-10-31-14-28;;;/h1-4,12,15,19,24H,5-11,13-14H2,(H2,23,29);3*1H