1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoylamino]thiourea

Systemtic Name: 1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoylamino]thiourea Openeye Name: 1-methyl-3-[[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]acetyl]amino]thiourea CAS Name: 1-methyl-3-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]amino]thiourea IUPAC Name: 1-methyl-3-[[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetyl]amino]thiourea Traditional Name: 1-methyl-3-[[2-[[2-(trifluoromethyl)-4-quinolyl]thio]acetyl]amino]thiourea Formula: C14H13F3N4OS2 MolecularWeight: 374.40443

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)CSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CNC(=S)NNC(=O)CSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C14H13F3N4OS2/c1-18-13(23)21-20-12(22)7-24-10-6-11(14(15,16)17)19-9-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,20,22)(H2,18,21,23)