(2R)-N-[(4-fluorophenyl)methyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-fluorobenzyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H22FN3O2S/c1-13(2)25-20(27)17-6-4-5-7-18(17)24-21(25)28-14(3)19(26)23-12-15-8-10-16(22)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,26)/t14-/m1/s1