3-[2-[azanyl-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]amino]ethanimidoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[2-[azanyl-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]amino]ethanimidoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[2-[amino-[1-[(4-cyanophenyl)methyl]-4-piperidyl]amino]ethanimidoyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 3-[2-[amino-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]amino]-1-iminoethyl]-4-thiazolidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[2-[amino-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]amino]ethanimidoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 3-[2-[amino-[1-(4-cyanobenzyl)-4-piperidyl]amino]acetimidoyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C23H27F6N7O4S MolecularWeight: 611.560399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC(=N)N2CSCC2C#N)N)CC3=CC=C(C=C3)C#N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1N(CC(=N)N2CSCC2C#N)N)CC3=CC=C(C=C3)C#N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H25N7S.2C2HF3O2/c20-9-15-1-3-16(4-2-15)11-24-7-5-17(6-8-24)26(23)12-19(22)25-14-27-13-18(25)10-21;2*3-2(4,5)1(6)7/h1-4,17-18,22H,5-8,11-14,23H2;2*(H,6,7)