3-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]-1,2-benzoxazole-5-carbonitrile trihydrochloride

Systemtic Name: 3-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]-1,2-benzoxazole-5-carbonitrile trihydrochloride Openeye Name: 3-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]-1,2-benzoxazole-5-carbonitrile trihydrochloride CAS Name: 3-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-1,2-benzoxazole-5-carbonitrile trihydrochloride IUPAC Name: 3-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-1,2-benzoxazole-5-carbonitrile trihydrochloride Traditional Name: 3-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]indoxazene-5-carbonitrile trihydrochloride Formula: C20H27Cl3N6O2S MolecularWeight: 521.89138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NOC5=C4C=C(C=C5)C#N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=NOC5=C4C=C(C=C5)C#N.Cl.Cl.Cl

InChI

InChI=1S/C20H24N6O2S.3ClH/c21-11-14-1-2-17-15(9-14)18(24-28-17)20(26-5-3-22-4-6-26)10-16(23-12-20)19(27)25-7-8-29-13-25;;;/h1-2,9,16,22-23H,3-8,10,12-13H2;3*1H