(2R)-N-(cyclohexylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H21F3N4O2S MolecularWeight: 426.45585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O2S/c1-11(15(27)25-18(28)23-12-7-3-2-4-8-12)29-16-13-9-5-6-10-14(13)24-17(26-16)19(20,21)22/h5-6,9-12H,2-4,7-8H2,1H3,(H2,23,25,27,28)/t11-/m1/s1