1-tert-butyl-3-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[1-oxo-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]thiourea Formula: C13H17F3N4O2S MolecularWeight: 350.35989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CN1C=C(C=CC1=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CN1C=C(C=CC1=O)C(F)(F)F

InChI

InChI=1S/C13H17F3N4O2S/c1-12(2,3)17-11(23)19-18-9(21)7-20-6-8(13(14,15)16)4-5-10(20)22/h4-6H,7H2,1-3H3,(H,18,21)(H2,17,19,23)