2-[1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile trihydrochloride

Systemtic Name: 2-[1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile trihydrochloride Openeye Name: 2-[1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]-4-piperidyl]-3H-benzimidazole-5-carbonitrile trihydrochloride CAS Name: 2-[1-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-4-piperidinyl]-3H-benzimidazole-5-carbonitrile trihydrochloride IUPAC Name: 2-[1-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-benzimidazole-5-carbonitrile trihydrochloride Traditional Name: 2-[1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]-4-piperidyl]-3H-benzimidazole-5-carbonitrile trihydrochloride Formula: C21H29Cl3N6OS MolecularWeight: 519.91856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C=C(C=C3)C#N)C4CC(NC4)C(=O)N5CCSC5.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C=C(C=C3)C#N)C4CC(NC4)C(=O)N5CCSC5.Cl.Cl.Cl

InChI

InChI=1S/C21H26N6OS.3ClH/c22-11-14-1-2-17-18(9-14)25-20(24-17)15-3-5-26(6-4-15)16-10-19(23-12-16)21(28)27-7-8-29-13-27;;;/h1-2,9,15-16,19,23H,3-8,10,12-13H2,(H,24,25);3*1H