1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiourea Formula: C18H24F3N5S MolecularWeight: 399.47687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C18H24F3N5S/c1-3-5-8-12(4-2)11-22-17(27)26-25-15-13-9-6-7-10-14(13)23-16(24-15)18(19,20)21/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,22,26,27)(H,23,24,25)/t12-/m0/s1