3-[2-[azanyl-[1-(2-morpholin-4-ylethanoyl)piperidin-4-yl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[2-[azanyl-[1-(2-morpholin-4-ylethanoyl)piperidin-4-yl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[2-[amino-[1-(2-morpholinoacetyl)-4-piperidyl]amino]acetyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 3-[2-[amino-[1-[2-(4-morpholinyl)-1-oxoethyl]-4-piperidinyl]amino]-1-oxoethyl]-4-thiazolidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[2-[amino-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 3-[2-[amino-[1-(2-morpholinoacetyl)-4-piperidyl]amino]acetyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C21H30F6N6O7S MolecularWeight: 624.554319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC(=O)N2CSCC2C#N)N)C(=O)CN3CCOCC3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1N(CC(=O)N2CSCC2C#N)N)C(=O)CN3CCOCC3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H28N6O3S.2C2HF3O2/c18-9-15-12-27-13-22(15)17(25)11-23(19)14-1-3-21(4-2-14)16(24)10-20-5-7-26-8-6-20;2*3-2(4,5)1(6)7/h14-15H,1-8,10-13,19H2;2*(H,6,7)