(2S)-N-(tert-butylcarbamoyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[[2-(2-furanyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C20H22N4O3S/c1-12(17(25)23-19(26)24-20(2,3)4)28-18-13-8-5-6-9-14(13)21-16(22-18)15-10-7-11-27-15/h5-12H,1-4H3,(H2,23,24,25,26)/t12-/m0/s1