1-azanylthiourea; 1,1,1-tris(fluoranyl)henicosane-2,4-dione

Systemtic Name: 1-azanylthiourea; 1,1,1-tris(fluoranyl)henicosane-2,4-dione Openeye Name: aminothiourea; 1,1,1-trifluorohenicosane-2,4-dione CAS Name: aminothiourea; 1,1,1-trifluoroheneicosane-2,4-dione IUPAC Name: aminothiourea; 1,1,1-trifluorohenicosane-2,4-dione Traditional Name: aminothiourea; 1,1,1-trifluoroheneicosane-2,4-dione Formula: C22H42F3N3O2S MolecularWeight: 469.64799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(F)(F)F.C(=S)(N)NN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(F)(F)F.C(=S)(N)NN

InChI

InChI=1S/C21H37F3O2.CH5N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)18-20(26)21(22,23)24;2-1(5)4-3/h2-18H2,1H3;3H2,(H3,2,4,5)