ethyl 4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H21F3N4O3S MolecularWeight: 442.45525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O3S/c1-2-29-18(28)26-9-7-12(8-10-26)23-15(27)11-30-16-13-5-3-4-6-14(13)24-17(25-16)19(20,21)22/h3-6,12H,2,7-11H2,1H3,(H,23,27)